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

C23H20F2N4O2 — CID 134457427

IUPAC(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cc(F)c(F)cc1N1C(=O)CC[C@H]1c1nc2ccc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C23H20F2N4O2/c1-11-8-15(24)16(25)10-20(11)29-19(6-7-21(29)30)23-26-17-5-4-14(9-18(17)27-23)22-12(2)28-31-13(22)3/h4-5,8-10,19H,6-7H2,1-3H3,(H,26,27)/t19-/m0/s1
InChIKeyYLPZLVOURCGVRC-IBGZPJMESA-N
MW422.44 g/mol
LogP5.29
Rot. Bonds3

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

(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 134457427) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is (5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID134457427
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cc(F)c(F)cc1N1C(=O)CC[C@H]1c1nc2ccc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C23H20F2N4O2/c1-11-8-15(24)16(25)10-20(11)29-19(6-7-21(29)30)23-26-17-5-4-14(9-18(17)27-23)22-12(2)28-31-13(22)3/h4-5,8-10,19H,6-7H2,1-3H3,(H,26,27)/t19-/m0/s1
InChIKeyYLPZLVOURCGVRC-IBGZPJMESA-N
XLogP5.29
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-1-(4,5-difluoro-2-methylphenyl)-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-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one (CID 134457427) is (5S)-1-(4,5-difluoro-2-methylphenyl)-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-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one is Cc1cc(F)c(F)cc1N1C(=O)CC[C@H]1c1nc2ccc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of (5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is YLPZLVOURCGVRC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-11-8-15(24)16(25)10-20(11)29-19(6-7-21(29)30)23-26-17-5-4-14(9-18(17)27-23)22-12(2)28-31-13(22)3/h4-5,8-10,19H,6-7H2,1-3H3,(H,26,27)/t19-/m0/s1.
What are the key properties of (5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one?
(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 422.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134457427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).