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

C21H22BrN3O — CID 7080478

IUPAC(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C21H22BrN3O/c1-2-3-12-24-19-7-5-4-6-18(19)23-21(24)15-13-20(26)25(14-15)17-10-8-16(22)9-11-17/h4-11,15H,2-3,12-14H2,1H3/t15-/m1/s1
InChIKeyPYUVHBVJAYMTLK-OAHLLOKOSA-N
MW412.33 g/mol
LogP5.12
Rot. Bonds5

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

(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7080478) has the molecular formula C21H22BrN3O and a molecular weight of 412.33 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7080478
Molecular FormulaC21H22BrN3O
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC Name(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C21H22BrN3O/c1-2-3-12-24-19-7-5-4-6-18(19)23-21(24)15-13-20(26)25(14-15)17-10-8-16(22)9-11-17/h4-11,15H,2-3,12-14H2,1H3/t15-/m1/s1
InChIKeyPYUVHBVJAYMTLK-OAHLLOKOSA-N
XLogP5.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717240
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038
1-(4-bromophenyl)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004751
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004666
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7080478) is (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is PYUVHBVJAYMTLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22BrN3O/c1-2-3-12-24-19-7-5-4-6-18(19)23-21(24)15-13-20(26)25(14-15)17-10-8-16(22)9-11-17/h4-11,15H,2-3,12-14H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 412.33 g/mol, XLogP of 5.12, 5 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-butylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7080478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).