1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one

C20H19ClN4O2 — CID 70735868

IUPAC1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one
SMILESCc1nc2ccc(C(=O)N3CC(=O)N(c4ccc(Cl)cc4)CC3C)cc2[nH]1
InChIInChI=1S/C20H19ClN4O2/c1-12-10-25(16-6-4-15(21)5-7-16)19(26)11-24(12)20(27)14-3-8-17-18(9-14)23-13(2)22-17/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyYRNWONPKSVEBPQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.40
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one

1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one (PubChem CID 70735868) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one
PubChem CID70735868
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one
SMILESCc1nc2ccc(C(=O)N3CC(=O)N(c4ccc(Cl)cc4)CC3C)cc2[nH]1
InChIInChI=1S/C20H19ClN4O2/c1-12-10-25(16-6-4-15(21)5-7-16)19(26)11-24(12)20(27)14-3-8-17-18(9-14)23-13(2)22-17/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyYRNWONPKSVEBPQ-UHFFFAOYSA-N
XLogP3.40
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one (CID 70735868) is 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one is Cc1nc2ccc(C(=O)N3CC(=O)N(c4ccc(Cl)cc4)CC3C)cc2[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one?
The InChIKey is YRNWONPKSVEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-10-25(16-6-4-15(21)5-7-16)19(26)11-24(12)20(27)14-3-8-17-18(9-14)23-13(2)22-17/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one?
1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one has a molecular weight of 382.85 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 70735868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).