3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C25H25N3O — CID 16967026

IUPAC3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccccc2C)c1
InChIInChI=1S/C25H25N3O/c1-17-9-8-12-20(15-17)25(29)26-19(3)24-27-22-13-6-7-14-23(22)28(24)16-21-11-5-4-10-18(21)2/h4-15,19H,16H2,1-3H3,(H,26,29)
InChIKeyCFYMYYBFBKEZCQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.19
Rot. Bonds5

About 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967026) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967026
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccccc2C)c1
InChIInChI=1S/C25H25N3O/c1-17-9-8-12-20(15-17)25(29)26-19(3)24-27-22-13-6-7-14-23(22)28(24)16-21-11-5-4-10-18(21)2/h4-15,19H,16H2,1-3H3,(H,26,29)
InChIKeyCFYMYYBFBKEZCQ-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029754
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029726
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967499
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967032
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 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967026) is 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccccc2C)c1.
What is the InChIKey of 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is CFYMYYBFBKEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-9-8-12-20(15-17)25(29)26-19(3)24-27-22-13-6-7-14-23(22)28(24)16-21-11-5-4-10-18(21)2/h4-15,19H,16H2,1-3H3,(H,26,29).
What are the key properties of 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 383.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).