(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one

C20H20BrN3O — CID 7080560

IUPAC(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)n1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21
InChIInChI=1S/C20H20BrN3O/c1-13(2)24-18-10-6-4-8-16(18)22-20(24)14-11-19(25)23(12-14)17-9-5-3-7-15(17)21/h3-10,13-14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyUUYVHKAYDMPSMS-CQSZACIVSA-N
MW398.30 g/mol
LogP4.90
Rot. Bonds3

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

(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7080560) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7080560
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)n1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21
InChIInChI=1S/C20H20BrN3O/c1-13(2)24-18-10-6-4-8-16(18)22-20(24)14-11-19(25)23(12-14)17-9-5-3-7-15(17)21/h3-10,13-14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyUUYVHKAYDMPSMS-CQSZACIVSA-N
XLogP4.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754106
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
(4R)-1-(2-bromophenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080570
(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 933954
1-(2-bromophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003275
1-(2-chlorophenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889252
1-(2-bromophenyl)-4-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003309
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17003405
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
(4R)-1-(2-bromophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814623
1-(2-bromophenyl)-4-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003332

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7080560) is (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one is CC(C)n1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is UUYVHKAYDMPSMS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-13(2)24-18-10-6-4-8-16(18)22-20(24)14-11-19(25)23(12-14)17-9-5-3-7-15(17)21/h3-10,13-14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 398.30 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7080560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).