N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide

C18H19N3O — CID 110785957

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C18H19N3O/c1-12-6-4-5-7-15(12)18(22)19-11-14-8-9-17-16(10-14)20-13(2)21(17)3/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyICGHWCFNNPRGLZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.12
Rot. Bonds3

About N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide (PubChem CID 110785957) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
PubChem CID110785957
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C18H19N3O/c1-12-6-4-5-7-15(12)18(22)19-11-14-8-9-17-16(10-14)20-13(2)21(17)3/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyICGHWCFNNPRGLZ-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 90652658
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-4-phenoxybutanamide
CID 110794764
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide (CID 110785957) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide?
The InChIKey is ICGHWCFNNPRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-6-4-5-7-15(12)18(22)19-11-14-8-9-17-16(10-14)20-13(2)21(17)3/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 110785957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).