4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one

C20H20BrN3O — CID 17002398

IUPAC4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C20H20BrN3O/c1-2-23-13-15(11-19(23)25)20-22-17-5-3-4-6-18(17)24(20)12-14-7-9-16(21)10-8-14/h3-10,15H,2,11-13H2,1H3
InChIKeyWDEFIBKFUPOEKB-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.18
Rot. Bonds4

About 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one

4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (PubChem CID 17002398) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
PubChem CID17002398
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C20H20BrN3O/c1-2-23-13-15(11-19(23)25)20-22-17-5-3-4-6-18(17)24(20)12-14-7-9-16(21)10-8-14/h3-10,15H,2,11-13H2,1H3
InChIKeyWDEFIBKFUPOEKB-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17004024
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-(4-bromophenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004697
4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005702
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (CID 17002398) is 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is CCN1CC(c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O.
What is the InChIKey of 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is WDEFIBKFUPOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-2-23-13-15(11-19(23)25)20-22-17-5-3-4-6-18(17)24(20)12-14-7-9-16(21)10-8-14/h3-10,15H,2,11-13H2,1H3.
What are the key properties of 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 398.30 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 17002398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).