1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one

C25H27BrN4O2 — CID 19242654

IUPAC1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)Cn2c(C3CC(=O)N(c4cccc(Br)c4)C3)nc3ccccc32)CC1
InChIInChI=1S/C25H27BrN4O2/c1-17-9-11-28(12-10-17)24(32)16-30-22-8-3-2-7-21(22)27-25(30)18-13-23(31)29(15-18)20-6-4-5-19(26)14-20/h2-8,14,17-18H,9-13,15-16H2,1H3
InChIKeyRADFNFIBBCPHTH-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.58
Rot. Bonds4

About 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 19242654) has the molecular formula C25H27BrN4O2 and a molecular weight of 495.42 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID19242654
Molecular FormulaC25H27BrN4O2
Molecular Weight495.42 g/mol
Exact Mass494.13
IUPAC Name1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)Cn2c(C3CC(=O)N(c4cccc(Br)c4)C3)nc3ccccc32)CC1
InChIInChI=1S/C25H27BrN4O2/c1-17-9-11-28(12-10-17)24(32)16-30-22-8-3-2-7-21(22)27-25(30)18-13-23(31)29(15-18)20-6-4-5-19(26)14-20/h2-8,14,17-18H,9-13,15-16H2,1H3
InChIKeyRADFNFIBBCPHTH-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(4-methylphenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387146
ethyl 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17005883
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
1-(3-bromophenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242612
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 19242643
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
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-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584
1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242591

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 19242654) is 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one is CC1CCN(C(=O)Cn2c(C3CC(=O)N(c4cccc(Br)c4)C3)nc3ccccc32)CC1.
What is the InChIKey of 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is RADFNFIBBCPHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O2/c1-17-9-11-28(12-10-17)24(32)16-30-22-8-3-2-7-21(22)27-25(30)18-13-23(31)29(15-18)20-6-4-5-19(26)14-20/h2-8,14,17-18H,9-13,15-16H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 495.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 19242654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).