4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide

C27H28ClN3O — CID 83287710

IUPAC4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1cc2nc(Cc3ccccc3Cl)n(Cc3ccc(C(=O)NC(C)C)cc3)c2cc1C
InChIInChI=1S/C27H28ClN3O/c1-17(2)29-27(32)21-11-9-20(10-12-21)16-31-25-14-19(4)18(3)13-24(25)30-26(31)15-22-7-5-6-8-23(22)28/h5-14,17H,15-16H2,1-4H3,(H,29,32)
InChIKeyFPZJQPJIJRHIPD-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.08
Rot. Bonds6

About 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide

4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 83287710) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID83287710
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC Name4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1cc2nc(Cc3ccccc3Cl)n(Cc3ccc(C(=O)NC(C)C)cc3)c2cc1C
InChIInChI=1S/C27H28ClN3O/c1-17(2)29-27(32)21-11-9-20(10-12-21)16-31-25-14-19(4)18(3)13-24(25)30-26(31)15-22-7-5-6-8-23(22)28/h5-14,17H,15-16H2,1-4H3,(H,29,32)
InChIKeyFPZJQPJIJRHIPD-UHFFFAOYSA-N
XLogP6.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide 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

ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 71813736
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
CID 18315589
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide (CID 83287710) is 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide is Cc1cc2nc(Cc3ccccc3Cl)n(Cc3ccc(C(=O)NC(C)C)cc3)c2cc1C.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is FPZJQPJIJRHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-17(2)29-27(32)21-11-9-20(10-12-21)16-31-25-14-19(4)18(3)13-24(25)30-26(31)15-22-7-5-6-8-23(22)28/h5-14,17H,15-16H2,1-4H3,(H,29,32).
What are the key properties of 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide?
4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 445.99 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 83287710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).