2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide

C27H38N4O5S — CID 45110371

IUPAC2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(=O)Nc3cc(C(C)(C)CO)no3)ccc2n1CC1CC1
InChIInChI=1S/C27H38N4O5S/c1-25(2,3)14-22-28-19-12-18(10-11-20(19)31(22)15-17-8-9-17)37(34,35)27(6,7)24(33)29-23-13-21(30-36-23)26(4,5)16-32/h10-13,17,32H,8-9,14-16H2,1-7H3,(H,29,33)
InChIKeyRZMKLFLXXZBKFM-UHFFFAOYSA-N
MW530.69 g/mol
LogP4.48
Rot. Bonds9

About 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide

2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 45110371) has the molecular formula C27H38N4O5S and a molecular weight of 530.69 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID45110371
Molecular FormulaC27H38N4O5S
Molecular Weight530.69 g/mol
Exact Mass530.26
IUPAC Name2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(=O)Nc3cc(C(C)(C)CO)no3)ccc2n1CC1CC1
InChIInChI=1S/C27H38N4O5S/c1-25(2,3)14-22-28-19-12-18(10-11-20(19)31(22)15-17-8-9-17)37(34,35)27(6,7)24(33)29-23-13-21(30-36-23)26(4,5)16-32/h10-13,17,32H,8-9,14-16H2,1-7H3,(H,29,33)
InChIKeyRZMKLFLXXZBKFM-UHFFFAOYSA-N
XLogP4.48
TPSA127.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.69
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (CID 45110371) is 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is CC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(=O)Nc3cc(C(C)(C)CO)no3)ccc2n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is RZMKLFLXXZBKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5S/c1-25(2,3)14-22-28-19-12-18(10-11-20(19)31(22)15-17-8-9-17)37(34,35)27(6,7)24(33)29-23-13-21(30-36-23)26(4,5)16-32/h10-13,17,32H,8-9,14-16H2,1-7H3,(H,29,33).
What are the key properties of 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 530.69 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 45110371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).