(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

C18H14Cl2N4O2 — CID 46844006

IUPAC(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N4O2/c19-10-1-4-12(5-2-10)24-15(7-8-16(24)25)17(26)23-18-21-13-6-3-11(20)9-14(13)22-18/h1-6,9,15H,7-8H2,(H2,21,22,23,26)/t15-/m0/s1
InChIKeyYVIIMGQBZLAIJG-HNNXBMFYSA-N
MW389.24 g/mol
LogP4.00
Rot. Bonds3

About (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 46844006) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID46844006
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N4O2/c19-10-1-4-12(5-2-10)24-15(7-8-16(24)25)17(26)23-18-21-13-6-3-11(20)9-14(13)22-18/h1-6,9,15H,7-8H2,(H2,21,22,23,26)/t15-/m0/s1
InChIKeyYVIIMGQBZLAIJG-HNNXBMFYSA-N
XLogP4.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 46844006) is (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YVIIMGQBZLAIJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-10-1-4-12(5-2-10)24-15(7-8-16(24)25)17(26)23-18-21-13-6-3-11(20)9-14(13)22-18/h1-6,9,15H,7-8H2,(H2,21,22,23,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46844006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).