(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C18H15BrN4O2 — CID 25473974

IUPAC(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nn1cnc2ccccc21)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H15BrN4O2/c19-13-5-7-14(8-6-13)22-10-12(9-17(22)24)18(25)21-23-11-20-15-3-1-2-4-16(15)23/h1-8,11-12H,9-10H2,(H,21,25)/t12-/m0/s1
InChIKeySTAFXWUDVKKEKZ-LBPRGKRZSA-N
MW399.25 g/mol
LogP2.92
Rot. Bonds3

About (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25473974) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25473974
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nn1cnc2ccccc21)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H15BrN4O2/c19-13-5-7-14(8-6-13)22-10-12(9-17(22)24)18(25)21-23-11-20-15-3-1-2-4-16(15)23/h1-8,11-12H,9-10H2,(H,21,25)/t12-/m0/s1
InChIKeySTAFXWUDVKKEKZ-LBPRGKRZSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 18885924
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
CID 42884782
1-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylurea
CID 46196744
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846
(3R)-1-(4-bromophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126273303
(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 25473974) is (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nn1cnc2ccccc21)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is STAFXWUDVKKEKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c19-13-5-7-14(8-6-13)22-10-12(9-17(22)24)18(25)21-23-11-20-15-3-1-2-4-16(15)23/h1-8,11-12H,9-10H2,(H,21,25)/t12-/m0/s1.
What are the key properties of (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25473974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).