N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

C27H29N3O — CID 16970447

IUPACN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCc1ccc(C)c(Cn2c(C(C)NC(=O)CCc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C27H29N3O/c1-19-13-14-20(2)23(17-19)18-30-25-12-8-7-11-24(25)29-27(30)21(3)28-26(31)16-15-22-9-5-4-6-10-22/h4-14,17,21H,15-16,18H2,1-3H3,(H,28,31)
InChIKeyCGHAOTYQZMMBDR-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.51
Rot. Bonds7

About N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (PubChem CID 16970447) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
PubChem CID16970447
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC NameN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCc1ccc(C)c(Cn2c(C(C)NC(=O)CCc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C27H29N3O/c1-19-13-14-20(2)23(17-19)18-30-25-12-8-7-11-24(25)29-27(30)21(3)28-26(31)16-15-22-9-5-4-6-10-22/h4-14,17,21H,15-16,18H2,1-3H3,(H,28,31)
InChIKeyCGHAOTYQZMMBDR-UHFFFAOYSA-N
XLogP5.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 7025717
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 4753702
N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970466
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3336029
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7025718
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (CID 16970447) is N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is Cc1ccc(C)c(Cn2c(C(C)NC(=O)CCc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The InChIKey is CGHAOTYQZMMBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-19-13-14-20(2)23(17-19)18-30-25-12-8-7-11-24(25)29-27(30)21(3)28-26(31)16-15-22-9-5-4-6-10-22/h4-14,17,21H,15-16,18H2,1-3H3,(H,28,31).
What are the key properties of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide has a molecular weight of 411.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16970447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).