2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole

C19H21ClN4 — CID 134084457

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
SMILESClc1ccc2nc(CN3CCN(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C19H21ClN4/c20-16-6-7-17-18(12-16)22-19(21-17)14-24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,22)
InChIKeyJEZSOYBBJVUUHB-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.53
Rot. Bonds4

About 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole

2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole (PubChem CID 134084457) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
PubChem CID134084457
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
SMILESClc1ccc2nc(CN3CCN(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C19H21ClN4/c20-16-6-7-17-18(12-16)22-19(21-17)14-24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,22)
InChIKeyJEZSOYBBJVUUHB-UHFFFAOYSA-N
XLogP3.53
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75510403
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
butane;6-chloro-2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 143407737
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol
CID 10065665
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole (CID 134084457) is 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole is Clc1ccc2nc(CN3CCN(Cc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole?
The InChIKey is JEZSOYBBJVUUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-16-6-7-17-18(12-16)22-19(21-17)14-24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,22).
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole?
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole has a molecular weight of 340.86 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole is sourced from PubChem (CID 134084457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).