(5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one

C22H24N4O2 — CID 134457824

IUPAC(5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2nc([C@@H]3CCC(=O)N3C3=CCCCC3)[nH]c2c1
InChIInChI=1S/C22H24N4O2/c1-13-21(14(2)28-25-13)15-8-9-17-18(12-15)24-22(23-17)19-10-11-20(27)26(19)16-6-4-3-5-7-16/h6,8-9,12,19H,3-5,7,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyHFEWWQMFEZNMKJ-IBGZPJMESA-N
MW376.46 g/mol
LogP4.96
Rot. Bonds3

About (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one

(5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 134457824) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID134457824
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2nc([C@@H]3CCC(=O)N3C3=CCCCC3)[nH]c2c1
InChIInChI=1S/C22H24N4O2/c1-13-21(14(2)28-25-13)15-8-9-17-18(12-15)24-22(23-17)19-10-11-20(27)26(19)16-6-4-3-5-7-16/h6,8-9,12,19H,3-5,7,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyHFEWWQMFEZNMKJ-IBGZPJMESA-N
XLogP4.96
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one 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 (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one (CID 134457824) is (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one is Cc1noc(C)c1-c1ccc2nc([C@@H]3CCC(=O)N3C3=CCCCC3)[nH]c2c1.
What is the InChIKey of (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HFEWWQMFEZNMKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-21(14(2)28-25-13)15-8-9-17-18(12-15)24-22(23-17)19-10-11-20(27)26(19)16-6-4-3-5-7-16/h6,8-9,12,19H,3-5,7,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
(5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclohexen-1-yl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134457824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).