N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide

C29H27N3O — CID 16970466

IUPACN-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)CCc1ccccc1)c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C29H27N3O/c1-21(30-28(33)19-18-22-10-3-2-4-11-22)29-31-26-16-7-8-17-27(26)32(29)20-24-14-9-13-23-12-5-6-15-25(23)24/h2-17,21H,18-20H2,1H3,(H,30,33)
InChIKeyIBCDYAWFYCNSLX-UHFFFAOYSA-N
MW433.56 g/mol
LogP6.05
Rot. Bonds7

About N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide

N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide (PubChem CID 16970466) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
PubChem CID16970466
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC NameN-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)CCc1ccccc1)c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C29H27N3O/c1-21(30-28(33)19-18-22-10-3-2-4-11-22)29-31-26-16-7-8-17-27(26)32(29)20-24-14-9-13-23-12-5-6-15-25(23)24/h2-17,21H,18-20H2,1H3,(H,30,33)
InChIKeyIBCDYAWFYCNSLX-UHFFFAOYSA-N
XLogP6.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-3-phenylpropanamide
CID 16970447
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970142
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
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
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967499
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968736
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972535
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
CID 16968848

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide (CID 16970466) is N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide is CC(NC(=O)CCc1ccccc1)c1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
The InChIKey is IBCDYAWFYCNSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O/c1-21(30-28(33)19-18-22-10-3-2-4-11-22)29-31-26-16-7-8-17-27(26)32(29)20-24-14-9-13-23-12-5-6-15-25(23)24/h2-17,21H,18-20H2,1H3,(H,30,33).
What are the key properties of N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide?
N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide has a molecular weight of 433.56 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16970466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).