[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone

C102H105ClF3N15O6 — CID 167625954

IUPAC[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
SMILESCC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.O=C(c1ccc2c(c1)ncn2-c1ccc(C(F)(F)F)cc1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C23H27N3O.C20H18F3N3O.C20H21N3O2.C20H21N3O.C19H18ClN3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25;21-20(22,23)15-5-7-16(8-6-15)26-13-24-17-12-14(4-9-18(17)26)19(27)25-10-2-1-3-11-25;1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(18)23)20(24)22-11-3-2-4-12-22;1-15-5-8-17(9-6-15)23-14-21-18-13-16(7-10-19(18)23)20(24)22-11-3-2-4-12-22;20-15-5-7-16(8-6-15)23-13-21-17-12-14(4-9-18(17)23)19(24)22-10-2-1-3-11-22/h7-12,15-16H,4-6,13-14H2,1-3H3;4-9,12-13H,1-3,10-11H2;5-10,13-14H,2-4,11-12H2,1H3;5-10,13-14H,2-4,11-12H2,1H3;4-9,12-13H,1-3,10-11H2
InChIKeyNCISCKQOTUFTOI-UHFFFAOYSA-N
MW1729.51 g/mol
LogP21.54
Rot. Bonds11

About [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone

[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone (PubChem CID 167625954) has the molecular formula C102H105ClF3N15O6 and a molecular weight of 1729.51 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
PubChem CID167625954
Molecular FormulaC102H105ClF3N15O6
Molecular Weight1729.51 g/mol
Exact Mass1727.80
IUPAC Name[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
SMILESCC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.O=C(c1ccc2c(c1)ncn2-c1ccc(C(F)(F)F)cc1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C23H27N3O.C20H18F3N3O.C20H21N3O2.C20H21N3O.C19H18ClN3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25;21-20(22,23)15-5-7-16(8-6-15)26-13-24-17-12-14(4-9-18(17)26)19(27)25-10-2-1-3-11-25;1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(18)23)20(24)22-11-3-2-4-12-22;1-15-5-8-17(9-6-15)23-14-21-18-13-16(7-10-19(18)23)20(24)22-11-3-2-4-12-22;20-15-5-7-16(8-6-15)23-13-21-17-12-14(4-9-18(17)23)19(24)22-10-2-1-3-11-22/h7-12,15-16H,4-6,13-14H2,1-3H3;4-9,12-13H,1-3,10-11H2;5-10,13-14H,2-4,11-12H2,1H3;5-10,13-14H,2-4,11-12H2,1H3;4-9,12-13H,1-3,10-11H2
InChIKeyNCISCKQOTUFTOI-UHFFFAOYSA-N
XLogP21.54
TPSA199.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001729.51
LogP ≤ 521.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone with MolForge

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Related Compounds

N-[3-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 157555703
1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
CID 159508021
[1-(3-Tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
CID 167660412
CID 157175921
CID 157175921
bis(1-[(2S)-butan-2-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide);tris(1-[(2R)-butan-2-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide);N-[4-[chloro(difluoro)methoxy]phenyl]-1-(cyclopropylmethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;bis(N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide)
CID 157715246
N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 158353009
3-(2-Chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
CID 159169526
2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 159198516
N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 159211082
N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
CID 159867102
3-benzyl-N-[4-chloro-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-methoxy-3-(2-methylidenebut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-methyl-4-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methane
CID 159961944
1-[(2R)-butan-2-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(difluoromethyl)-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 160072145

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
The IUPAC name of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone (CID 167625954) is [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone.
What is the SMILES notation for [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
The canonical SMILES for [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone is CC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1.O=C(c1ccc2c(c1)ncn2-c1ccc(C(F)(F)F)cc1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
The InChIKey is NCISCKQOTUFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.C20H18F3N3O.C20H21N3O2.C20H21N3O.C19H18ClN3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25;21-20(22,23)15-5-7-16(8-6-15)26-13-24-17-12-14(4-9-18(17)26)19(27)25-10-2-1-3-11-25;1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(18)23)20(24)22-11-3-2-4-12-22;1-15-5-8-17(9-6-15)23-14-21-18-13-16(7-10-19(18)23)20(24)22-11-3-2-4-12-22;20-15-5-7-16(8-6-15)23-13-21-17-12-14(4-9-18(17)23)19(24)22-10-2-1-3-11-22/h7-12,15-16H,4-6,13-14H2,1-3H3;4-9,12-13H,1-3,10-11H2;5-10,13-14H,2-4,11-12H2,1H3;5-10,13-14H,2-4,11-12H2,1H3;4-9,12-13H,1-3,10-11H2.
What are the key properties of [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone has a molecular weight of 1729.51 g/mol, XLogP of 21.54, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone is sourced from PubChem (CID 167625954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).