N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide

C18H21N3O3S — CID 1479154

IUPACN-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide
SMILESCOc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc32)cc1
InChIInChI=1S/C18H21N3O3S/c1-12-9-16-18(17(13(12)2)20-25(4,22)23)19-11-21(16)10-14-5-7-15(24-3)8-6-14/h5-9,11,20H,10H2,1-4H3
InChIKeyXKFHHOBYJADYLZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.08
Rot. Bonds5

About N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide

N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide (PubChem CID 1479154) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide
PubChem CID1479154
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide
SMILESCOc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc32)cc1
InChIInChI=1S/C18H21N3O3S/c1-12-9-16-18(17(13(12)2)20-25(4,22)23)19-11-21(16)10-14-5-7-15(24-3)8-6-14/h5-9,11,20H,10H2,1-4H3
InChIKeyXKFHHOBYJADYLZ-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
1-(4-Methoxy-3-Methylbenzyl)-1,5,6,7-Tetrahydroindeno[5,6-D]imidazole
CID 73442216
1-(4-Methoxy-3-Methylbenzyl)-5,6,7,8-Tetrahydro-1h-Naphtho[2,3-D]imidazole
CID 73442217
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008
1-(4-Methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
1-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzimidazol-5-amine
CID 3713839
Tomoxiprole
CID 6917745
7-[2-(4-Methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76336478
(1-Allyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 975441
5,6-dimethyl-1-(2-phenoxyethyl)-1H-1,3-benzodiazole
CID 962404
N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-1H-benzimidazol-5-amine
CID 1122995

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide (CID 1479154) is N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide is COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc32)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide?
The InChIKey is XKFHHOBYJADYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-9-16-18(17(13(12)2)20-25(4,22)23)19-11-21(16)10-14-5-7-15(24-3)8-6-14/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide?
N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]methanesulfonamide is sourced from PubChem (CID 1479154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).