2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole

C19H21ClN4 — CID 798232

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
InChIKeyYKMSTUDOGGAEJH-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.55
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 798232) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID798232
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
InChIKeyYKMSTUDOGGAEJH-UHFFFAOYSA-N
XLogP3.55
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole (CID 798232) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole is Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is YKMSTUDOGGAEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole has a molecular weight of 340.86 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 798232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).