4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine

C24H27N5O3S — CID 149428185

IUPAC4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)CNC2CCCC2)c2nc(Nc3ccccc3)[nH]c2c1
InChIInChI=1S/C24H27N5O3S/c1-15-22(16(2)32-29-15)17-12-20-23(28-24(27-20)26-19-10-4-3-5-11-19)21(13-17)33(30,31)14-25-18-8-6-7-9-18/h3-5,10-13,18,25H,6-9,14H2,1-2H3,(H2,26,27,28)
InChIKeyYUNHCEFVWYOZPD-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.84
Rot. Bonds7

About 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine

4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine (PubChem CID 149428185) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine
PubChem CID149428185
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)CNC2CCCC2)c2nc(Nc3ccccc3)[nH]c2c1
InChIInChI=1S/C24H27N5O3S/c1-15-22(16(2)32-29-15)17-12-20-23(28-24(27-20)26-19-10-4-3-5-11-19)21(13-17)33(30,31)14-25-18-8-6-7-9-18/h3-5,10-13,18,25H,6-9,14H2,1-2H3,(H2,26,27,28)
InChIKeyYUNHCEFVWYOZPD-UHFFFAOYSA-N
XLogP4.84
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine with MolForge

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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
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
CID 86282834
[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
CID 158140170
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide
CID 144744169
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;ethane
CID 145336378
ethyl 3-[[4-(cyclopentylamino)sulfanyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]amino]propanoate
CID 145336399
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094016
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093993
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide
CID 158881495
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
CID 144852412
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
CID 91799311

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine?
The IUPAC name of 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine (CID 149428185) is 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine is Cc1noc(C)c1-c1cc(S(=O)(=O)CNC2CCCC2)c2nc(Nc3ccccc3)[nH]c2c1.
What is the InChIKey of 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine?
The InChIKey is YUNHCEFVWYOZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-15-22(16(2)32-29-15)17-12-20-23(28-24(27-20)26-19-10-4-3-5-11-19)21(13-17)33(30,31)14-25-18-8-6-7-9-18/h3-5,10-13,18,25H,6-9,14H2,1-2H3,(H2,26,27,28).
What are the key properties of 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine?
4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine has a molecular weight of 465.58 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 149428185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).