1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile

C25H26N4O3 — CID 71681179

IUPAC1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(C#N)ccc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C25H26N4O3/c1-25(2)22(17-6-4-3-5-7-17)29(24(31)32-25)19-11-9-18(10-12-19)28-21-13-8-16(15-26)14-20(21)27-23(28)30/h3-8,13-14,18-19,22H,9-12H2,1-2H3,(H,27,30)/t18?,19?,22-/m0/s1
InChIKeyJLUWGYRKHZWQDW-AJTFCVKESA-N
MW430.51 g/mol
LogP4.66
Rot. Bonds3

About 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile

1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile (PubChem CID 71681179) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile
PubChem CID71681179
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(C#N)ccc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C25H26N4O3/c1-25(2)22(17-6-4-3-5-7-17)29(24(31)32-25)19-11-9-18(10-12-19)28-21-13-8-16(15-26)14-20(21)27-23(28)30/h3-8,13-14,18-19,22H,9-12H2,1-2H3,(H,27,30)/t18?,19?,22-/m0/s1
InChIKeyJLUWGYRKHZWQDW-AJTFCVKESA-N
XLogP4.66
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 78148355
(4S)-5,5-dimethyl-3-[4-(8-oxo-7H-purin-9-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681649
N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide
CID 18509851
2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
CID 172967774
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carbonitrile
CID 69046598
tert-butyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 18509724
4-(4-fluorophenyl)-5,5-dimethyl-3-(4-methylcyclohexyl)-1,3-oxazolidin-2-one
CID 123961424
5-cyano-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 68867632
3-hydroxy-2,2-dimethyl-4-(2-oxo-3H-benzimidazol-1-yl)-3,4-dihydrochromene-6-carbonitrile
CID 19373583
(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 127054006
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile (CID 71681179) is 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cc(C#N)ccc43)CC2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile?
The InChIKey is JLUWGYRKHZWQDW-AJTFCVKESA-N. The full InChI is InChI=1S/C25H26N4O3/c1-25(2)22(17-6-4-3-5-7-17)29(24(31)32-25)19-11-9-18(10-12-19)28-21-13-8-16(15-26)14-20(21)27-23(28)30/h3-8,13-14,18-19,22H,9-12H2,1-2H3,(H,27,30)/t18?,19?,22-/m0/s1.
What are the key properties of 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile?
1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile has a molecular weight of 430.51 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 71681179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).