N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide

C18H19N3O3 — CID 110785359

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O3/c1-20-15-9-4-12(10-16(15)21(2)18(20)23)11-19-17(22)13-5-7-14(24-3)8-6-13/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyCDDFQBOIMYUYLI-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.82
Rot. Bonds4

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide (PubChem CID 110785359) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
PubChem CID110785359
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O3/c1-20-15-9-4-12(10-16(15)21(2)18(20)23)11-19-17(22)13-5-7-14(24-3)8-6-13/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyCDDFQBOIMYUYLI-UHFFFAOYSA-N
XLogP1.82
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 49295852
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
2-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 70149214
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide
CID 10112057
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide (CID 110785359) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide?
The InChIKey is CDDFQBOIMYUYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20-15-9-4-12(10-16(15)21(2)18(20)23)11-19-17(22)13-5-7-14(24-3)8-6-13/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 110785359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).