7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole

C14H14Cl2N4 — CID 61460982

IUPAC7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1CCn1cccn1
InChIInChI=1S/C14H14Cl2N4/c15-6-5-13-18-12-4-1-3-11(16)14(12)20(13)10-9-19-8-2-7-17-19/h1-4,7-8H,5-6,9-10H2
InChIKeyXAYTWNXBIUDOBX-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.37
Rot. Bonds5

About 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole (PubChem CID 61460982) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
PubChem CID61460982
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1CCn1cccn1
InChIInChI=1S/C14H14Cl2N4/c15-6-5-13-18-12-4-1-3-11(16)14(12)20(13)10-9-19-8-2-7-17-19/h1-4,7-8H,5-6,9-10H2
InChIKeyXAYTWNXBIUDOBX-UHFFFAOYSA-N
XLogP3.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914985
7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
CID 115521089
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
CID 63545046
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)-7-methylbenzimidazole
CID 115553110
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927
2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 81135677
2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
CID 130526495
4-[2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326545

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole (CID 61460982) is 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole is ClCCc1nc2cccc(Cl)c2n1CCn1cccn1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
The InChIKey is XAYTWNXBIUDOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c15-6-5-13-18-12-4-1-3-11(16)14(12)20(13)10-9-19-8-2-7-17-19/h1-4,7-8H,5-6,9-10H2.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole has a molecular weight of 309.20 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole is sourced from PubChem (CID 61460982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).