1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride

C178H206BBr3ClF11N24O11 — CID 163700759

IUPAC1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride
SMILESC.CCCC[C@H](C)CNC(=O)C1=Nc2cc(Br)ccc2C1.CCCC[C@H](C)CNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2cc(Br)ccc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2ccc(Br)cc2n1Cc1ccccc1.CO.CO.Cl.NCCC[C@H](N)CNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.NCCC[C@H](N)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1.OB(O)c1ccc(F)c(F)c1.[2H]CF
InChIInChI=1S/2C28H29F2N3O.2C26H27F2N5O.2C22H26BrN3O.C16H21BrN2O.C6H5BF2O2.CH3F.2CH4O.CH4.ClH/c1-3-4-8-19(2)17-31-28(34)27-32-25-16-22(21-11-13-23(29)24(30)15-21)12-14-26(25)33(27)18-20-9-6-5-7-10-20;1-3-4-8-19(2)17-31-28(34)27-32-25-14-12-22(21-11-13-23(29)24(30)15-21)16-26(25)33(27)18-20-9-6-5-7-10-20;27-21-10-8-18(13-22(21)28)19-9-11-24-23(14-19)32-25(26(34)31-15-20(30)7-4-12-29)33(24)16-17-5-2-1-3-6-17;27-21-10-8-18(13-22(21)28)19-9-11-23-24(14-19)33(16-17-5-2-1-3-6-17)25(32-23)26(34)31-15-20(30)7-4-12-29;1-3-4-8-16(2)14-24-22(27)21-25-19-13-18(23)11-12-20(19)26(21)15-17-9-6-5-7-10-17;1-3-4-8-16(2)14-24-22(27)21-25-19-12-11-18(23)13-20(19)26(21)15-17-9-6-5-7-10-17;1-3-4-5-11(2)10-18-16(20)15-8-12-6-7-13(17)9-14(12)19-15;8-5-2-1-4(7(10)11)3-6(5)9;3*1-2;;/h2*5-7,9-16,19H,3-4,8,17-18H2,1-2H3,(H,31,34);2*1-3,5-6,8-11,13-14,20H,4,7,12,15-16,29-30H2,(H,31,34);2*5-7,9-13,16H,3-4,8,14-15H2,1-2H3,(H,24,27);6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,20);1-3,10-11H;1H3;2*2H,1H3;1H4;1H/t2*19-;2*20-;2*16-;11-;;;;;;/m0000000....../s1/i;;;;;;;;1D;;;;
InChIKeyGBLMRTFINQBAPZ-BUBNKVMFSA-N
MW3353.72 g/mol
LogP36.16
Rot. Bonds59

About 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride

1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride (PubChem CID 163700759) has the molecular formula C178H206BBr3ClF11N24O11 and a molecular weight of 3353.72 g/mol. Its IUPAC name is 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride
PubChem CID163700759
Molecular FormulaC178H206BBr3ClF11N24O11
Molecular Weight3353.72 g/mol
Exact Mass3348.35
IUPAC Name1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride
SMILESC.CCCC[C@H](C)CNC(=O)C1=Nc2cc(Br)ccc2C1.CCCC[C@H](C)CNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2cc(Br)ccc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2ccc(Br)cc2n1Cc1ccccc1.CO.CO.Cl.NCCC[C@H](N)CNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.NCCC[C@H](N)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1.OB(O)c1ccc(F)c(F)c1.[2H]CF
InChIInChI=1S/2C28H29F2N3O.2C26H27F2N5O.2C22H26BrN3O.C16H21BrN2O.C6H5BF2O2.CH3F.2CH4O.CH4.ClH/c1-3-4-8-19(2)17-31-28(34)27-32-25-16-22(21-11-13-23(29)24(30)15-21)12-14-26(25)33(27)18-20-9-6-5-7-10-20;1-3-4-8-19(2)17-31-28(34)27-32-25-14-12-22(21-11-13-23(29)24(30)15-21)16-26(25)33(27)18-20-9-6-5-7-10-20;27-21-10-8-18(13-22(21)28)19-9-11-24-23(14-19)32-25(26(34)31-15-20(30)7-4-12-29)33(24)16-17-5-2-1-3-6-17;27-21-10-8-18(13-22(21)28)19-9-11-23-24(14-19)33(16-17-5-2-1-3-6-17)25(32-23)26(34)31-15-20(30)7-4-12-29;1-3-4-8-16(2)14-24-22(27)21-25-19-13-18(23)11-12-20(19)26(21)15-17-9-6-5-7-10-17;1-3-4-8-16(2)14-24-22(27)21-25-19-12-11-18(23)13-20(19)26(21)15-17-9-6-5-7-10-17;1-3-4-5-11(2)10-18-16(20)15-8-12-6-7-13(17)9-14(12)19-15;8-5-2-1-4(7(10)11)3-6(5)9;3*1-2;;/h2*5-7,9-16,19H,3-4,8,17-18H2,1-2H3,(H,31,34);2*1-3,5-6,8-11,13-14,20H,4,7,12,15-16,29-30H2,(H,31,34);2*5-7,9-13,16H,3-4,8,14-15H2,1-2H3,(H,24,27);6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,20);1-3,10-11H;1H3;2*2H,1H3;1H4;1H/t2*19-;2*20-;2*16-;11-;;;;;;/m0000000....../s1/i;;;;;;;;1D;;;;
InChIKeyGBLMRTFINQBAPZ-BUBNKVMFSA-N
XLogP36.16
TPSA507.98 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds59
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003353.72
LogP ≤ 536.16
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride with MolForge

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Related Compounds

1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
CID 135324766
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 135324542
N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
CID 142426166
N-[(2S)-2,5-diaminopentyl]-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(4-methylphenyl)benzimidazole-2-carboxamide
CID 158578557
sodium;acetic acid;4-bromobenzene-1,2-diamine;tert-butyl N-[(4S)-4-methyl-5-[[6-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-2-carbonyl]amino]pentyl]carbamate;N-[(2S)-2,5-diaminopentyl]-6-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-2-carboxamide;methane;methanol;4-(4-methylphenyl)benzene-1,2-diamine;(4-methylphenyl)boronic acid;6-(4-methylphenyl)-3H-indole-2-carboxylic acid;6-(4-methylphenyl)-2-(trichloromethyl)-3H-indole;methyl 2,2,2-trichloroethanimidate;hydroxide;hydrochloride
CID 158244751
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide
CID 158413593
tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(4S)-5-[[5-(4-fluorophenyl)-1-methylbenzimidazole-2-carbonyl]amino]-4-methylpentyl]carbamate;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide;hydrochloride
CID 159510728
N-(3-aminopropyl)-N-[(1R)-1-[5-bromo-1-[(3,5-difluorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]benzamide
CID 11592103
[(2S)-1-[[1-benzyl-6-(4-methoxyphenyl)benzimidazole-2-carbonyl]amino]-5-(carboxyamino)pentan-2-yl]carbamic acid
CID 135324857
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
CID 135324563

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride?
The IUPAC name of 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride (CID 163700759) is 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride.
What is the SMILES notation for 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride?
The canonical SMILES for 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride is C.CCCC[C@H](C)CNC(=O)C1=Nc2cc(Br)ccc2C1.CCCC[C@H](C)CNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2cc(Br)ccc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1.CCCC[C@H](C)CNC(=O)c1nc2ccc(Br)cc2n1Cc1ccccc1.CO.CO.Cl.NCCC[C@H](N)CNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.NCCC[C@H](N)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1.OB(O)c1ccc(F)c(F)c1.[2H]CF.
What is the InChIKey of 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride?
The InChIKey is GBLMRTFINQBAPZ-BUBNKVMFSA-N. The full InChI is InChI=1S/2C28H29F2N3O.2C26H27F2N5O.2C22H26BrN3O.C16H21BrN2O.C6H5BF2O2.CH3F.2CH4O.CH4.ClH/c1-3-4-8-19(2)17-31-28(34)27-32-25-16-22(21-11-13-23(29)24(30)15-21)12-14-26(25)33(27)18-20-9-6-5-7-10-20;1-3-4-8-19(2)17-31-28(34)27-32-25-14-12-22(21-11-13-23(29)24(30)15-21)16-26(25)33(27)18-20-9-6-5-7-10-20;27-21-10-8-18(13-22(21)28)19-9-11-24-23(14-19)32-25(26(34)31-15-20(30)7-4-12-29)33(24)16-17-5-2-1-3-6-17;27-21-10-8-18(13-22(21)28)19-9-11-23-24(14-19)33(16-17-5-2-1-3-6-17)25(32-23)26(34)31-15-20(30)7-4-12-29;1-3-4-8-16(2)14-24-22(27)21-25-19-13-18(23)11-12-20(19)26(21)15-17-9-6-5-7-10-17;1-3-4-8-16(2)14-24-22(27)21-25-19-12-11-18(23)13-20(19)26(21)15-17-9-6-5-7-10-17;1-3-4-5-11(2)10-18-16(20)15-8-12-6-7-13(17)9-14(12)19-15;8-5-2-1-4(7(10)11)3-6(5)9;3*1-2;;/h2*5-7,9-16,19H,3-4,8,17-18H2,1-2H3,(H,31,34);2*1-3,5-6,8-11,13-14,20H,4,7,12,15-16,29-30H2,(H,31,34);2*5-7,9-13,16H,3-4,8,14-15H2,1-2H3,(H,24,27);6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,20);1-3,10-11H;1H3;2*2H,1H3;1H4;1H/t2*19-;2*20-;2*16-;11-;;;;;;/m0000000....../s1/i;;;;;;;;1D;;;;.
What are the key properties of 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride?
1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride has a molecular weight of 3353.72 g/mol, XLogP of 36.16, 59 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride is sourced from PubChem (CID 163700759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).