1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one

C27H25N3O2 — CID 17003107

IUPAC1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCc1ccc(C)c(N2CC(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2=O)c1
InChIInChI=1S/C27H25N3O2/c1-18-12-13-19(2)24(14-18)29-16-21(15-26(29)32)27-28-22-10-6-7-11-23(22)30(27)17-25(31)20-8-4-3-5-9-20/h3-14,21H,15-17H2,1-2H3
InChIKeyRBJDLRAGSIIQDX-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.06
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 17003107) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID17003107
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCc1ccc(C)c(N2CC(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2=O)c1
InChIInChI=1S/C27H25N3O2/c1-18-12-13-19(2)24(14-18)29-16-21(15-26(29)32)27-28-22-10-6-7-11-23(22)30(27)17-25(31)20-8-4-3-5-9-20/h3-14,21H,15-17H2,1-2H3
InChIKeyRBJDLRAGSIIQDX-UHFFFAOYSA-N
XLogP5.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 17003086
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
(4S)-1-(2,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 51430290
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17003088
(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941306
(4R)-1-(2,5-dimethylphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812682
4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17003641
(4S)-1-(2-methylphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 42387107
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2,5-dimethylphenyl)pyrrolidin-2-one
CID 17003014
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964707
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one (CID 17003107) is 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one is Cc1ccc(C)c(N2CC(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is RBJDLRAGSIIQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-12-13-19(2)24(14-18)29-16-21(15-26(29)32)27-28-22-10-6-7-11-23(22)30(27)17-25(31)20-8-4-3-5-9-20/h3-14,21H,15-17H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 423.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 17003107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).