phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone

C17H16N2O3S — CID 10616254

IUPACphenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone
SMILESCC(C)S(=O)(=O)n1cnc2ccc(C(=O)c3ccccc3)cc21
InChIInChI=1S/C17H16N2O3S/c1-12(2)23(21,22)19-11-18-15-9-8-14(10-16(15)19)17(20)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyMBNIRMRXQJQYHZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.85
Rot. Bonds4

About phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone

phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone (PubChem CID 10616254) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone
PubChem CID10616254
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Namephenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone
SMILESCC(C)S(=O)(=O)n1cnc2ccc(C(=O)c3ccccc3)cc21
InChIInChI=1S/C17H16N2O3S/c1-12(2)23(21,22)19-11-18-15-9-8-14(10-16(15)19)17(20)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyMBNIRMRXQJQYHZ-UHFFFAOYSA-N
XLogP2.85
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide
CID 127045752
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
1-Phenylbenzimidazole deriv. 72
CID 5328471
carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 3
CID 127047625
1-phenyl-1H-benzo[d]imidazole-5-carboxamide
CID 5328470
1-Phenylbenzimidazole deriv. 73
CID 5328472
N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 71307876
3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H-benzoimidazol-5-yl)-propan-1-one; hydrochloride
CID 10110914
3-(1-Benzylpiperidin-4-yl)-1-(1-ethyl-2-methylbenzimidazol-5-yl)propan-1-one;hydrochloride
CID 10455123
3-[2-Oxo-2-(2''-sulfamoyl-biphenyl-4-yl)-ethyl]-3H-benzoimidazole-5-carboxamidine
CID 10526785
S-[2-[4-[(1-methylbenzimidazol-5-yl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 17754922

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone?
The IUPAC name of phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone (CID 10616254) is phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone.
What is the SMILES notation for phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone?
The canonical SMILES for phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone is CC(C)S(=O)(=O)n1cnc2ccc(C(=O)c3ccccc3)cc21.
What is the InChIKey of phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone?
The InChIKey is MBNIRMRXQJQYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12(2)23(21,22)19-11-18-15-9-8-14(10-16(15)19)17(20)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone?
phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone has a molecular weight of 328.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 10616254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).