(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

C18H16BrN3O — CID 7136822

IUPAC(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C18H16BrN3O/c1-21-16-5-3-2-4-15(16)20-18(21)12-10-17(23)22(11-12)14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyOLEPUJSHSFZSBR-GFCCVEGCSA-N
MW370.25 g/mol
LogP3.86
Rot. Bonds2

About (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7136822) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7136822
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C18H16BrN3O/c1-21-16-5-3-2-4-15(16)20-18(21)12-10-17(23)22(11-12)14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyOLEPUJSHSFZSBR-GFCCVEGCSA-N
XLogP3.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717240
(4S)-1-(3-chloro-4-methylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941336
1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004666
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
1-(4-bromophenyl)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004665
(4R)-4-(1-methylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080429
1-(4-bromophenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004697
1-(4-bromophenyl)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004751
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
1-(4-bromophenyl)-4-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004720
1-(4-bromophenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753955

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7136822) is (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is Cn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is OLEPUJSHSFZSBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-21-16-5-3-2-4-15(16)20-18(21)12-10-17(23)22(11-12)14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 370.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7136822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).