1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride

C18H20Cl2N4 — CID 45488368

IUPAC1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride
SMILESCl.Clc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1
InChIInChI=1S/C18H19ClN4.ClH/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14;/h1-7,12,20H,8-11,13H2;1H
InChIKeyOTZACRMJHLRBAK-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.57
Rot. Bonds3

About 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride

1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride (PubChem CID 45488368) has the molecular formula C18H20Cl2N4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride
PubChem CID45488368
Molecular FormulaC18H20Cl2N4
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride
SMILESCl.Clc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1
InChIInChI=1S/C18H19ClN4.ClH/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14;/h1-7,12,20H,8-11,13H2;1H
InChIKeyOTZACRMJHLRBAK-UHFFFAOYSA-N
XLogP3.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride?
The IUPAC name of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride (CID 45488368) is 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride.
What is the SMILES notation for 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride?
The canonical SMILES for 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride is Cl.Clc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride?
The InChIKey is OTZACRMJHLRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4.ClH/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14;/h1-7,12,20H,8-11,13H2;1H.
What are the key properties of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride?
1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole;hydrochloride is sourced from PubChem (CID 45488368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).