N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide

C112H131FN20O9S2 — CID 157120206

IUPACN-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide
SMILESC=CC(=O)N1CCC2(CC(n3c(NC(=O)C4=CCN(C)C=C4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)C4=CNC(=C)C=C4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(CN[C@@H](C)C(C)(C)C)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)F)s4)nc4cc(CN[C@@H](C)C(C)(C)C)ccc43)C2)C1
InChIInChI=1S/C33H39N5O3S.C31H40FN5O2S.C24H27N5O2.C24H25N5O2/c1-6-29(39)37-14-13-33(20-37)17-23(18-33)38-25-10-9-22(19-34-21(2)32(3,4)5)16-24(25)35-31(38)36-30(40)28-12-11-27(42-28)26-8-7-15-41-26;1-7-27(38)36-13-12-31(18-36)15-22(16-31)37-24-9-8-21(17-33-20(3)30(4,5)6)14-23(24)34-29(37)35-28(39)26-11-10-25(40-26)19(2)32;1-3-21(30)28-13-10-24(16-28)14-18(15-24)29-20-7-5-4-6-19(20)25-23(29)26-22(31)17-8-11-27(2)12-9-17;1-3-21(30)28-11-10-24(15-28)12-18(13-24)29-20-7-5-4-6-19(20)26-23(29)27-22(31)17-9-8-16(2)25-14-17/h6-12,15-16,21,23,34H,1,13-14,17-20H2,2-5H3,(H,35,36,40);7-11,14,19-20,22,33H,1,12-13,15-18H2,2-6H3,(H,34,35,39);3-9,11,18H,1,10,12-16H2,2H3,(H,25,26,31);3-9,14,18,25H,1-2,10-13,15H2,(H,26,27,31)/t21-,23?,33?;19?,20-,22?,31?;;/m00../s1
InChIKeyAHWNSGCEQIXWKE-NVGNBLDFSA-N
MW1984.54 g/mol
LogP19.89
Rot. Bonds24

About N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide

N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide (PubChem CID 157120206) has the molecular formula C112H131FN20O9S2 and a molecular weight of 1984.54 g/mol. Its IUPAC name is N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide
PubChem CID157120206
Molecular FormulaC112H131FN20O9S2
Molecular Weight1984.54 g/mol
Exact Mass1982.98
IUPAC NameN-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide
SMILESC=CC(=O)N1CCC2(CC(n3c(NC(=O)C4=CCN(C)C=C4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)C4=CNC(=C)C=C4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(CN[C@@H](C)C(C)(C)C)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)F)s4)nc4cc(CN[C@@H](C)C(C)(C)C)ccc43)C2)C1
InChIInChI=1S/C33H39N5O3S.C31H40FN5O2S.C24H27N5O2.C24H25N5O2/c1-6-29(39)37-14-13-33(20-37)17-23(18-33)38-25-10-9-22(19-34-21(2)32(3,4)5)16-24(25)35-31(38)36-30(40)28-12-11-27(42-28)26-8-7-15-41-26;1-7-27(38)36-13-12-31(18-36)15-22(16-31)37-24-9-8-21(17-33-20(3)30(4,5)6)14-23(24)34-29(37)35-28(39)26-11-10-25(40-26)19(2)32;1-3-21(30)28-13-10-24(16-28)14-18(15-24)29-20-7-5-4-6-19(20)25-23(29)26-22(31)17-8-11-27(2)12-9-17;1-3-21(30)28-11-10-24(15-28)12-18(13-24)29-20-7-5-4-6-19(20)26-23(29)27-22(31)17-9-8-16(2)25-14-17/h6-12,15-16,21,23,34H,1,13-14,17-20H2,2-5H3,(H,35,36,40);7-11,14,19-20,22,33H,1,12-13,15-18H2,2-6H3,(H,34,35,39);3-9,11,18H,1,10,12-16H2,2H3,(H,25,26,31);3-9,14,18,25H,1-2,10-13,15H2,(H,26,27,31)/t21-,23?,33?;19?,20-,22?,31?;;/m00../s1
InChIKeyAHWNSGCEQIXWKE-NVGNBLDFSA-N
XLogP19.89
TPSA321.39 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.54
LogP ≤ 519.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 157256149
N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 161001443
N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 157256153
N-[4-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 159247596
N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 159247597
N-[5-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 161879510
N-[6-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 162158060
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[4-(prop-2-enoylamino)cyclohexyl]benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
CID 157101474
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[4-(prop-2-enoylamino)cyclohexyl]benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;methane
CID 157172899
benzyl N-[[2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-5-yl]methyl]-N-[(2S)-3,3-dimethylbutan-2-yl]carbamate;5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;prop-2-enoyl chloride;hydrobromide
CID 157207620
benzyl N-[[1-(6-azaspiro[3.4]octan-2-yl)-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]benzimidazol-5-yl]methyl]-N-[(2S)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl 2-[2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-5-[[[(2S)-3,3-dimethylbutan-2-yl]-phenylmethoxycarbonylamino]methyl]benzimidazol-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;5-(difluoromethyl)thiophene-2-carboxylic acid;methane;hydrochloride
CID 157243947
5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 157305361

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide?
The IUPAC name of N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide (CID 157120206) is N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide?
The canonical SMILES for N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)C4=CCN(C)C=C4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)C4=CNC(=C)C=C4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(CN[C@@H](C)C(C)(C)C)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)F)s4)nc4cc(CN[C@@H](C)C(C)(C)C)ccc43)C2)C1.
What is the InChIKey of N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide?
The InChIKey is AHWNSGCEQIXWKE-NVGNBLDFSA-N. The full InChI is InChI=1S/C33H39N5O3S.C31H40FN5O2S.C24H27N5O2.C24H25N5O2/c1-6-29(39)37-14-13-33(20-37)17-23(18-33)38-25-10-9-22(19-34-21(2)32(3,4)5)16-24(25)35-31(38)36-30(40)28-12-11-27(42-28)26-8-7-15-41-26;1-7-27(38)36-13-12-31(18-36)15-22(16-31)37-24-9-8-21(17-33-20(3)30(4,5)6)14-23(24)34-29(37)35-28(39)26-11-10-25(40-26)19(2)32;1-3-21(30)28-13-10-24(16-28)14-18(15-24)29-20-7-5-4-6-19(20)25-23(29)26-22(31)17-8-11-27(2)12-9-17;1-3-21(30)28-11-10-24(15-28)12-18(13-24)29-20-7-5-4-6-19(20)26-23(29)27-22(31)17-9-8-16(2)25-14-17/h6-12,15-16,21,23,34H,1,13-14,17-20H2,2-5H3,(H,35,36,40);7-11,14,19-20,22,33H,1,12-13,15-18H2,2-6H3,(H,34,35,39);3-9,11,18H,1,10,12-16H2,2H3,(H,25,26,31);3-9,14,18,25H,1-2,10-13,15H2,(H,26,27,31)/t21-,23?,33?;19?,20-,22?,31?;;/m00../s1.
What are the key properties of N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide?
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide has a molecular weight of 1984.54 g/mol, XLogP of 19.89, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methylidene-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1H-pyridine-3-carboxamide;1-methyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2H-pyridine-4-carboxamide is sourced from PubChem (CID 157120206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).