1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C26H31N3O — CID 17005293

IUPAC1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(C)c(Cn2c(C3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1
InChIInChI=1S/C26H31N3O/c1-18-12-13-19(2)20(14-18)16-29-24-11-7-6-10-23(24)27-26(29)21-15-25(30)28(17-21)22-8-4-3-5-9-22/h6-7,10-14,21-22H,3-5,8-9,15-17H2,1-2H3
InChIKeyNXTZJKINJQUUMD-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.35
Rot. Bonds4

About 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17005293) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17005293
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(C)c(Cn2c(C3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1
InChIInChI=1S/C26H31N3O/c1-18-12-13-19(2)20(14-18)16-29-24-11-7-6-10-23(24)27-26(29)21-15-25(30)28(17-21)22-8-4-3-5-9-22/h6-7,10-14,21-22H,3-5,8-9,15-17H2,1-2H3
InChIKeyNXTZJKINJQUUMD-UHFFFAOYSA-N
XLogP5.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 25345248
4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 3698723
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272
1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005301
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
1-cyclohexyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005363
1-cyclopentyl-4-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965308
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011768
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17005293) is 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(C)c(Cn2c(C3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1.
What is the InChIKey of 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NXTZJKINJQUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-18-12-13-19(2)20(14-18)16-29-24-11-7-6-10-23(24)27-26(29)21-15-25(30)28(17-21)22-8-4-3-5-9-22/h6-7,10-14,21-22H,3-5,8-9,15-17H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 401.55 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17005293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).