4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide

C32H28FN5O3 — CID 177185071

IUPAC4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)nc(-c2cccc(OC)c2C)n3-c2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C32H28FN5O3/c1-18-22(7-6-8-29(18)41-5)30-35-25-16-20(19-9-12-23(24(33)15-19)31(39)34-2)10-13-26(25)38(30)21-11-14-27-28(17-21)37(4)32(40)36(27)3/h6-17H,1-5H3,(H,34,39)
InChIKeyKXCUKOYIPRGIHN-UHFFFAOYSA-N
MW549.61 g/mol
LogP5.37
Rot. Bonds5

About 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide

4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide (PubChem CID 177185071) has the molecular formula C32H28FN5O3 and a molecular weight of 549.61 g/mol. Its IUPAC name is 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
PubChem CID177185071
Molecular FormulaC32H28FN5O3
Molecular Weight549.61 g/mol
Exact Mass549.22
IUPAC Name4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)nc(-c2cccc(OC)c2C)n3-c2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C32H28FN5O3/c1-18-22(7-6-8-29(18)41-5)30-35-25-16-20(19-9-12-23(24(33)15-19)31(39)34-2)10-13-26(25)38(30)21-11-14-27-28(17-21)37(4)32(40)36(27)3/h6-17H,1-5H3,(H,34,39)
InChIKeyKXCUKOYIPRGIHN-UHFFFAOYSA-N
XLogP5.37
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide 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

2-(3-fluorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24782079
N-(1-(2-methoxyphenethyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-4-cyanobenzamide
CID 44588946
N-[2-(3-methoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910495
2-[4-[[6-[(2-Methoxyphenyl)methylcarbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57380412
N-[(2-methoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70686409
N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66562070
N-[(2-Methoxyphenyl)methyl]-2-methyl-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3655465
2-methoxy-N-{1-methyl-2-[2-(propanoylamino)ethyl]-1H-benzimidazol-5-yl}benzamide
CID 4895369
N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 44525862
N-[2-(2,5-dimethoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910581
N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 49866076
2-[4-[[6-[(3-Methoxyphenyl)methylcarbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57380413

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide (CID 177185071) is 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(c2)nc(-c2cccc(OC)c2C)n3-c2ccc3c(c2)n(C)c(=O)n3C)cc1F.
What is the InChIKey of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is KXCUKOYIPRGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN5O3/c1-18-22(7-6-8-29(18)41-5)30-35-25-16-20(19-9-12-23(24(33)15-19)31(39)34-2)10-13-26(25)38(30)21-11-14-27-28(17-21)37(4)32(40)36(27)3/h6-17H,1-5H3,(H,34,39).
What are the key properties of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 549.61 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxy-2-methylphenyl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 177185071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).