4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one

C22H22BrN3O — CID 18888776

IUPAC4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESC=C(Br)Cn1c(C2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21
InChIInChI=1S/C22H22BrN3O/c1-3-16-8-4-6-10-19(16)25-14-17(12-21(25)27)22-24-18-9-5-7-11-20(18)26(22)13-15(2)23/h4-11,17H,2-3,12-14H2,1H3
InChIKeyMHCFRCCQEMBIRY-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.03
Rot. Bonds5

About 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one

4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 18888776) has the molecular formula C22H22BrN3O and a molecular weight of 424.34 g/mol. Its IUPAC name is 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID18888776
Molecular FormulaC22H22BrN3O
Molecular Weight424.34 g/mol
Exact Mass423.09
IUPAC Name4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESC=C(Br)Cn1c(C2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21
InChIInChI=1S/C22H22BrN3O/c1-3-16-8-4-6-10-19(16)25-14-17(12-21(25)27)22-24-18-9-5-7-11-20(18)26(22)13-15(2)23/h4-11,17H,2-3,12-14H2,1H3
InChIKeyMHCFRCCQEMBIRY-UHFFFAOYSA-N
XLogP5.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 18889307
(4R)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40852442
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003117
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
1-(4-bromophenyl)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004665
4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17003641
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 4630375
(4S)-1-(2-ethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698808
1-(2-ethylphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride
CID 90485860
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40512734
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811250
(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 962234

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one (CID 18888776) is 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one is C=C(Br)Cn1c(C2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21.
What is the InChIKey of 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is MHCFRCCQEMBIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O/c1-3-16-8-4-6-10-19(16)25-14-17(12-21(25)27)22-24-18-9-5-7-11-20(18)26(22)13-15(2)23/h4-11,17H,2-3,12-14H2,1H3.
What are the key properties of 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 424.34 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 18888776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).