N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide

C19H20ClN5O — CID 110643395

IUPACN-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
SMILESCc1nc2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc2[nH]1
InChIInChI=1S/C19H20ClN5O/c1-13-21-17-7-6-16(12-18(17)22-13)24-8-10-25(11-9-24)19(26)23-15-4-2-14(20)3-5-15/h2-7,12H,8-11H2,1H3,(H,21,22)(H,23,26)
InChIKeyZZPIYLNSSFFGMQ-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.88
Rot. Bonds2

About N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide (PubChem CID 110643395) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
PubChem CID110643395
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
SMILESCc1nc2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc2[nH]1
InChIInChI=1S/C19H20ClN5O/c1-13-21-17-7-6-16(12-18(17)22-13)24-8-10-25(11-9-24)19(26)23-15-4-2-14(20)3-5-15/h2-7,12H,8-11H2,1H3,(H,21,22)(H,23,26)
InChIKeyZZPIYLNSSFFGMQ-UHFFFAOYSA-N
XLogP3.88
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643390
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide (CID 110643395) is N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide is Cc1nc2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc2[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The InChIKey is ZZPIYLNSSFFGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-21-17-7-6-16(12-18(17)22-13)24-8-10-25(11-9-24)19(26)23-15-4-2-14(20)3-5-15/h2-7,12H,8-11H2,1H3,(H,21,22)(H,23,26).
What are the key properties of N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110643395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).