2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole

C18H19ClN4 — CID 9945233

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESC1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4Cl
InChIInChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
InChIKeyATPCXZFSRSVMMW-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole

2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole (PubChem CID 9945233) has the molecular formula C18H19ClN4 and a molecular weight of 326.80 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
PubChem CID9945233
Molecular FormulaC18H19ClN4
Molecular Weight326.80 g/mol
Exact Mass326.13
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESC1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4Cl
InChIInChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
InChIKeyATPCXZFSRSVMMW-UHFFFAOYSA-N
XLogP3.60
TPSA35.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-methylbenzimidazole
CID 76063
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
Chlorfenazole
CID 77123
1H-Benzimidazole-2-pentanamine
CID 162387
2,6-Bis(benzimidazol-2-yl)pyridine
CID 738986
6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
2-(piperidin-4-yl)-1H-1,3-benzodiazole
CID 715810
Tris(2-benzimidazolylmethyl)amine
CID 623893
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
Ezeprogind
CID 10252009
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
1,4-Bis(2-benzimidazolyl)butane
CID 200005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole?
The IUPAC name of 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole (CID 9945233) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole?
The canonical SMILES for 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole is C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4Cl.
What is the InChIKey of 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole?
The InChIKey is ATPCXZFSRSVMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21).
What are the key properties of 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole?
2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole has a molecular weight of 326.80 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole is sourced from PubChem (CID 9945233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).