2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide

C20H23N3O — CID 17006775

IUPAC2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CC(C)C
InChIInChI=1S/C20H23N3O/c1-14(2)13-23-18-11-7-6-10-17(18)22-19(23)12-21-20(24)16-9-5-4-8-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyOSOUZNCZGYGGQN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.93
Rot. Bonds5

About 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide

2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17006775) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17006775
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CC(C)C
InChIInChI=1S/C20H23N3O/c1-14(2)13-23-18-11-7-6-10-17(18)22-19(23)12-21-20(24)16-9-5-4-8-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyOSOUZNCZGYGGQN-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029387
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006928
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029351
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide (CID 17006775) is 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide is Cc1ccccc1C(=O)NCc1nc2ccccc2n1CC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is OSOUZNCZGYGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(2)13-23-18-11-7-6-10-17(18)22-19(23)12-21-20(24)16-9-5-4-8-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.93, 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-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17006775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).