4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide

C24H23N3O3 — CID 18111635

IUPAC4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-26(15-17-8-13-22(29-2)23(14-17)30-3)24(28)18-9-11-19(12-10-18)27-16-25-20-6-4-5-7-21(20)27/h4-14,16H,15H2,1-3H3
InChIKeyHGBGYNMHUHHCJA-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.31
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide

4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 18111635) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID18111635
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-26(15-17-8-13-22(29-2)23(14-17)30-3)24(28)18-9-11-19(12-10-18)27-16-25-20-6-4-5-7-21(20)27/h4-14,16H,15H2,1-3H3
InChIKeyHGBGYNMHUHHCJA-UHFFFAOYSA-N
XLogP4.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
CID 24504404
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 31370181
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 77088347
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
[4-(benzimidazol-1-yl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 17448989
3-(benzimidazol-1-yl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 30299770

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide (CID 18111635) is 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is HGBGYNMHUHHCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-26(15-17-8-13-22(29-2)23(14-17)30-3)24(28)18-9-11-19(12-10-18)27-16-25-20-6-4-5-7-21(20)27/h4-14,16H,15H2,1-3H3.
What are the key properties of 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18111635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).