3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide

C30H26N4O3 — CID 154983683

IUPAC3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3ccc(-c4cccc(O)c4)cc3)n(Cc3ccn(C(=O)C4CC4)c3)c12
InChIInChI=1S/C30H26N4O3/c1-31-29(36)25-6-3-7-26-27(25)34(18-19-14-15-33(17-19)30(37)22-12-13-22)28(32-26)21-10-8-20(9-11-21)23-4-2-5-24(35)16-23/h2-11,14-17,22,35H,12-13,18H2,1H3,(H,31,36)
InChIKeyUXXVZNBYRLJWEV-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.34
Rot. Bonds6

About 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide

3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide (PubChem CID 154983683) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide
PubChem CID154983683
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC Name3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3ccc(-c4cccc(O)c4)cc3)n(Cc3ccn(C(=O)C4CC4)c3)c12
InChIInChI=1S/C30H26N4O3/c1-31-29(36)25-6-3-7-26-27(25)34(18-19-14-15-33(17-19)30(37)22-12-13-22)28(32-26)21-10-8-20(9-11-21)23-4-2-5-24(35)16-23/h2-11,14-17,22,35H,12-13,18H2,1H3,(H,31,36)
InChIKeyUXXVZNBYRLJWEV-UHFFFAOYSA-N
XLogP5.34
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(4-fluorophenyl)phenyl]-N-methylbenzimidazole-5-carboxamide
CID 154983688
2-[4-(1-benzofuran-5-yl)phenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methylbenzimidazole-4-carboxamide
CID 77148301
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(4-methoxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide
CID 77148295
N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
CID 66692352
[(3S)-3-[[7-bromo-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579663
7-cyano-1-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[3-(dimethylsulfamoylamino)phenyl]phenyl]benzimidazole
CID 66582174
cyclopropyl-[(3R)-3-[[2-[4-(4-fluorophenyl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579624
cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 77147528
cyclopropyl-[(3S)-3-[[2-[4-(4-methoxyphenyl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579696
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
CID 67433023
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
[(3R)-3-[[7-bromo-2-[4-(4-methoxyphenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579362

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide (CID 154983683) is 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide is CNC(=O)c1cccc2nc(-c3ccc(-c4cccc(O)c4)cc3)n(Cc3ccn(C(=O)C4CC4)c3)c12.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide?
The InChIKey is UXXVZNBYRLJWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3/c1-31-29(36)25-6-3-7-26-27(25)34(18-19-14-15-33(17-19)30(37)22-12-13-22)28(32-26)21-10-8-20(9-11-21)23-4-2-5-24(35)16-23/h2-11,14-17,22,35H,12-13,18H2,1H3,(H,31,36).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide?
3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)pyrrol-3-yl]methyl]-2-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 154983683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).