[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol

C19H23N3O4S — CID 158140170

IUPAC[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)CC2CCCC2)c2nc(CO)[nH]c2c1
InChIInChI=1S/C19H23N3O4S/c1-11-18(12(2)26-22-11)14-7-15-19(21-17(9-23)20-15)16(8-14)27(24,25)10-13-5-3-4-6-13/h7-8,13,23H,3-6,9-10H2,1-2H3,(H,20,21)
InChIKeyYYNRVUHUVALJRU-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.29
Rot. Bonds5

About [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol

[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol (PubChem CID 158140170) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
PubChem CID158140170
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)CC2CCCC2)c2nc(CO)[nH]c2c1
InChIInChI=1S/C19H23N3O4S/c1-11-18(12(2)26-22-11)14-7-15-19(21-17(9-23)20-15)16(8-14)27(24,25)10-13-5-3-4-6-13/h7-8,13,23H,3-6,9-10H2,1-2H3,(H,20,21)
InChIKeyYYNRVUHUVALJRU-UHFFFAOYSA-N
XLogP3.29
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentylmethylsulfonyl)-N-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine
CID 146801414
5-(cyclopentylmethylsulfonyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-quinoxalin-1-ium 1-oxide;5-(cyclopentylmethylsulfonyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
CID 161119931
4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine
CID 149428185
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
CID 86282834
7-chloro-5-(cyclopentylmethylsulfonyl)quinoxaline;4-[8-(cyclopentylmethylsulfonyl)quinoxalin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
CID 159291371
4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 153079461
4-[2-chloro-5-(cyclopentylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[5-(cyclopentylmethylsulfonyl)-2-cyclopropylquinolin-7-yl]-3,5-dimethyl-1,2-oxazole;cyclopropylboronic acid
CID 159549909
N-cyclopentyl-3-(1,3-dihydroxypropan-2-ylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094082
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;ethane
CID 145336378
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094016
1-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
CID 121441424
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093993

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol (CID 158140170) is [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol is Cc1noc(C)c1-c1cc(S(=O)(=O)CC2CCCC2)c2nc(CO)[nH]c2c1.
What is the InChIKey of [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol?
The InChIKey is YYNRVUHUVALJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-11-18(12(2)26-22-11)14-7-15-19(21-17(9-23)20-15)16(8-14)27(24,25)10-13-5-3-4-6-13/h7-8,13,23H,3-6,9-10H2,1-2H3,(H,20,21).
What are the key properties of [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol?
[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol has a molecular weight of 389.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 158140170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).