6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride

C18H21Cl2N5 — CID 120768325

IUPAC6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride
SMILESCl.Cn1c(CN2CCNCC2c2cccnc2)nc2ccc(Cl)cc21
InChIInChI=1S/C18H20ClN5.ClH/c1-23-16-9-14(19)4-5-15(16)22-18(23)12-24-8-7-21-11-17(24)13-3-2-6-20-10-13;/h2-6,9-10,17,21H,7-8,11-12H2,1H3;1H
InChIKeyCAKGLNXJPFVVIP-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.19
Rot. Bonds3

About 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride

6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride (PubChem CID 120768325) has the molecular formula C18H21Cl2N5 and a molecular weight of 378.31 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride
PubChem CID120768325
Molecular FormulaC18H21Cl2N5
Molecular Weight378.31 g/mol
Exact Mass377.12
IUPAC Name6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride
SMILESCl.Cn1c(CN2CCNCC2c2cccnc2)nc2ccc(Cl)cc21
InChIInChI=1S/C18H20ClN5.ClH/c1-23-16-9-14(19)4-5-15(16)22-18(23)12-24-8-7-21-11-17(24)13-3-2-6-20-10-13;/h2-6,9-10,17,21H,7-8,11-12H2,1H3;1H
InChIKeyCAKGLNXJPFVVIP-UHFFFAOYSA-N
XLogP3.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(5-chloro-2-nitrophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754286
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120756020
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120754342

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride?
The IUPAC name of 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride (CID 120768325) is 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride.
What is the SMILES notation for 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride?
The canonical SMILES for 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride is Cl.Cn1c(CN2CCNCC2c2cccnc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride?
The InChIKey is CAKGLNXJPFVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5.ClH/c1-23-16-9-14(19)4-5-15(16)22-18(23)12-24-8-7-21-11-17(24)13-3-2-6-20-10-13;/h2-6,9-10,17,21H,7-8,11-12H2,1H3;1H.
What are the key properties of 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride?
6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride has a molecular weight of 378.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride is sourced from PubChem (CID 120768325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).