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

C25H27BrN4O2 — CID 17003393

IUPAC4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
SMILESO=C(Cn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C25H27BrN4O2/c26-19-9-3-5-11-21(19)29-16-18(15-23(29)31)25-27-20-10-4-6-12-22(20)30(25)17-24(32)28-13-7-1-2-8-14-28/h3-6,9-12,18H,1-2,7-8,13-17H2
InChIKeyLUTUCSGSXKHHFK-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.72
Rot. Bonds4

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

4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one (PubChem CID 17003393) has the molecular formula C25H27BrN4O2 and a molecular weight of 495.42 g/mol. Its IUPAC name is 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
PubChem CID17003393
Molecular FormulaC25H27BrN4O2
Molecular Weight495.42 g/mol
Exact Mass494.13
IUPAC Name4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
SMILESO=C(Cn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C25H27BrN4O2/c26-19-9-3-5-11-21(19)29-16-18(15-23(29)31)25-27-20-10-4-6-12-22(20)30(25)17-24(32)28-13-7-1-2-8-14-28/h3-6,9-12,18H,1-2,7-8,13-17H2
InChIKeyLUTUCSGSXKHHFK-UHFFFAOYSA-N
XLogP4.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
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
1-(2-ethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003786
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003907
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003905
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
(4R)-1-(2-bromophenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080570
1-(2-bromophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003275

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one (CID 17003393) is 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one is O=C(Cn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21)N1CCCCCC1.
What is the InChIKey of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one?
The InChIKey is LUTUCSGSXKHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O2/c26-19-9-3-5-11-21(19)29-16-18(15-23(29)31)25-27-20-10-4-6-12-22(20)30(25)17-24(32)28-13-7-1-2-8-14-28/h3-6,9-12,18H,1-2,7-8,13-17H2.
What are the key properties of 4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one?
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one has a molecular weight of 495.42 g/mol, XLogP of 4.72, 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-(2-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 17003393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).