4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one

C26H32N4O2 — CID 23607603

IUPAC4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)c(N2CC(c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c(C)c1
InChIInChI=1S/C26H32N4O2/c1-18-14-19(2)25(20(3)15-18)30-17-21(16-24(30)31)26-27-22-6-4-5-7-23(22)29(26)9-8-28-10-12-32-13-11-28/h4-7,14-15,21H,8-13,16-17H2,1-3H3
InChIKeyLSPCJKOPBXNFOH-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.81
Rot. Bonds5

About 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one

4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one (PubChem CID 23607603) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
PubChem CID23607603
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)c(N2CC(c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c(C)c1
InChIInChI=1S/C26H32N4O2/c1-18-14-19(2)25(20(3)15-18)30-17-21(16-24(30)31)26-27-22-6-4-5-7-23(22)29(26)9-8-28-10-12-32-13-11-28/h4-7,14-15,21H,8-13,16-17H2,1-3H3
InChIKeyLSPCJKOPBXNFOH-UHFFFAOYSA-N
XLogP3.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 7080505
(4S)-1-(4-chlorophenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717112
(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717220
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003158
1-(2,6-dimethylphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003176
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080614
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one (CID 23607603) is 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one is Cc1cc(C)c(N2CC(c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c(C)c1.
What is the InChIKey of 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
The InChIKey is LSPCJKOPBXNFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-14-19(2)25(20(3)15-18)30-17-21(16-24(30)31)26-27-22-6-4-5-7-23(22)29(26)9-8-28-10-12-32-13-11-28/h4-7,14-15,21H,8-13,16-17H2,1-3H3.
What are the key properties of 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one has a molecular weight of 432.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 23607603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).