N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

C17H19N3O2S — CID 110785872

IUPACN-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C17H19N3O2S/c1-13-3-5-14(6-4-13)11-23(21,22)19-10-15-7-8-17-16(9-15)18-12-20(17)2/h3-9,12,19H,10-11H2,1-2H3
InChIKeyPJRQRFIAMWRUFC-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110785872) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110785872
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C17H19N3O2S/c1-13-3-5-14(6-4-13)11-23(21,22)19-10-15-7-8-17-16(9-15)18-12-20(17)2/h3-9,12,19H,10-11H2,1-2H3
InChIKeyPJRQRFIAMWRUFC-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110786696
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115125068
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110730616
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 110785872) is N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ccc3c(c2)ncn3C)cc1.
What is the InChIKey of N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is PJRQRFIAMWRUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-3-5-14(6-4-13)11-23(21,22)19-10-15-7-8-17-16(9-15)18-12-20(17)2/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110785872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).