2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide

C18H19N3O — CID 53014028

IUPAC2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)ncn3C)c(C)c1
InChIInChI=1S/C18H19N3O/c1-12-4-6-15(13(2)8-12)18(22)19-10-14-5-7-17-16(9-14)20-11-21(17)3/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyMNELHZCTYSUTPI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.12
Rot. Bonds3

About 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide

2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide (PubChem CID 53014028) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
PubChem CID53014028
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)ncn3C)c(C)c1
InChIInChI=1S/C18H19N3O/c1-12-4-6-15(13(2)8-12)18(22)19-10-14-5-7-17-16(9-14)20-11-21(17)3/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyMNELHZCTYSUTPI-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

2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110791606

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide (CID 53014028) is 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)ncn3C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
The InChIKey is MNELHZCTYSUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-4-6-15(13(2)8-12)18(22)19-10-14-5-7-17-16(9-14)20-11-21(17)3/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide 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 2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53014028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).