N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C19H19N5O3S — CID 46970043

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3-n3ccnc3)ccc21
InChIInChI=1S/C19H19N5O3S/c1-22-17-8-7-15(11-18(17)23(2)19(22)25)28(26,27)21-12-14-5-3-4-6-16(14)24-10-9-20-13-24/h3-11,13,21H,12H2,1-2H3
InChIKeySYDHXQFNNLZECR-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.54
Rot. Bonds5

About N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 46970043) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID46970043
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3-n3ccnc3)ccc21
InChIInChI=1S/C19H19N5O3S/c1-22-17-8-7-15(11-18(17)23(2)19(22)25)28(26,27)21-12-14-5-3-4-6-16(14)24-10-9-20-13-24/h3-11,13,21H,12H2,1-2H3
InChIKeySYDHXQFNNLZECR-UHFFFAOYSA-N
XLogP1.54
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30380953
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide
CID 46772764
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 92676674
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 154763658
N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 167940623
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46772327
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 46970043) is N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3-n3ccnc3)ccc21.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is SYDHXQFNNLZECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-22-17-8-7-15(11-18(17)23(2)19(22)25)28(26,27)21-12-14-5-3-4-6-16(14)24-10-9-20-13-24/h3-11,13,21H,12H2,1-2H3.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 46970043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).