4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one

C25H27ClN4O2 — CID 17004584

IUPAC4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C(Cn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C25H27ClN4O2/c26-19-9-11-20(12-10-19)29-16-18(15-23(29)31)25-27-21-7-3-4-8-22(21)30(25)17-24(32)28-13-5-1-2-6-14-28/h3-4,7-12,18H,1-2,5-6,13-17H2
InChIKeyXMJBMJTUILBWII-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.61
Rot. Bonds4

About 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one

4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one (PubChem CID 17004584) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
PubChem CID17004584
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C(Cn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C25H27ClN4O2/c26-19-9-11-20(12-10-19)29-16-18(15-23(29)31)25-27-21-7-3-4-8-22(21)30(25)17-24(32)28-13-5-1-2-6-14-28/h3-4,7-12,18H,1-2,5-6,13-17H2
InChIKeyXMJBMJTUILBWII-UHFFFAOYSA-N
XLogP4.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
(4S)-1-(2-methylphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 42387107
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
(4R)-1-(4-methylphenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387146
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
1-(2-ethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003786

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one (CID 17004584) is 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one is O=C(Cn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21)N1CCCCCC1.
What is the InChIKey of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is XMJBMJTUILBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c26-19-9-11-20(12-10-19)29-16-18(15-23(29)31)25-27-21-7-3-4-8-22(21)30(25)17-24(32)28-13-5-1-2-6-14-28/h3-4,7-12,18H,1-2,5-6,13-17H2.
What are the key properties of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one has a molecular weight of 450.97 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 17004584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).