N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide

C16H17N3O3S — CID 163926569

IUPACN-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C16H17N3O3S/c1-23(21,22)17-10-12-6-8-13(9-7-12)11-19-15-5-3-2-4-14(15)18-16(19)20/h2-9,17H,10-11H2,1H3,(H,18,20)
InChIKeyREZMEZNBEDIBJE-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.43
Rot. Bonds5

About N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide

N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide (PubChem CID 163926569) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide
PubChem CID163926569
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C16H17N3O3S/c1-23(21,22)17-10-12-6-8-13(9-7-12)11-19-15-5-3-2-4-14(15)18-16(19)20/h2-9,17H,10-11H2,1H3,(H,18,20)
InChIKeyREZMEZNBEDIBJE-UHFFFAOYSA-N
XLogP1.43
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide
CID 166828677
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
CID 70601747
CID 70601747
N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
CID 166828607
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
3-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-one
CID 57250326
3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one
CID 18334864
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 15517403
3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate
CID 70551057

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide (CID 163926569) is N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide?
The InChIKey is REZMEZNBEDIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-23(21,22)17-10-12-6-8-13(9-7-12)11-19-15-5-3-2-4-14(15)18-16(19)20/h2-9,17H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide?
N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 163926569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).