(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one

C17H14BrN3O — CID 7080465

IUPAC(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17-19-14-3-1-2-4-15(14)20-17/h1-8,11H,9-10H2,(H,19,20)/t11-/m0/s1
InChIKeyAJXPVJMOBKEQDM-NSHDSACASA-N
MW356.22 g/mol
LogP3.85
Rot. Bonds2

About (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one

(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one (PubChem CID 7080465) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
PubChem CID7080465
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17-19-14-3-1-2-4-15(14)20-17/h1-8,11H,9-10H2,(H,19,20)/t11-/m0/s1
InChIKeyAJXPVJMOBKEQDM-NSHDSACASA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080677
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 163330053
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822
2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136790926
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one (CID 7080465) is (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one is O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1ccc(Br)cc1.
What is the InChIKey of (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one?
The InChIKey is AJXPVJMOBKEQDM-NSHDSACASA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17-19-14-3-1-2-4-15(14)20-17/h1-8,11H,9-10H2,(H,19,20)/t11-/m0/s1.
What are the key properties of (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one?
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one has a molecular weight of 356.22 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 7080465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).