2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide

C28H25N3O — CID 16967499

IUPAC2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C28H25N3O/c1-19-10-3-5-14-23(19)28(32)29-20(2)27-30-25-16-7-8-17-26(25)31(27)18-22-13-9-12-21-11-4-6-15-24(21)22/h3-17,20H,18H2,1-2H3,(H,29,32)
InChIKeyOELYDLIQWPBQMW-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.04
Rot. Bonds5

About 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide

2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967499) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967499
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC Name2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C28H25N3O/c1-19-10-3-5-14-23(19)28(32)29-20(2)27-30-25-16-7-8-17-26(25)31(27)18-22-13-9-12-21-11-4-6-15-24(21)22/h3-17,20H,18H2,1-2H3,(H,29,32)
InChIKeyOELYDLIQWPBQMW-UHFFFAOYSA-N
XLogP6.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970142
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967490
2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967470
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967564
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970466
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16967499) is 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide is Cc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is OELYDLIQWPBQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c1-19-10-3-5-14-23(19)28(32)29-20(2)27-30-25-16-7-8-17-26(25)31(27)18-22-13-9-12-21-11-4-6-15-24(21)22/h3-17,20H,18H2,1-2H3,(H,29,32).
What are the key properties of 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).