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

C14H14Cl2N4 — CID 115471181

IUPAC6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CCn1cccn1
InChIInChI=1S/C14H14Cl2N4/c1-10(15)14-18-12-4-3-11(16)9-13(12)20(14)8-7-19-6-2-5-17-19/h2-6,9-10H,7-8H2,1H3
InChIKeyUIWJGZCBLGSEJK-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.89
Rot. Bonds4

About 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole (PubChem CID 115471181) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
PubChem CID115471181
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CCn1cccn1
InChIInChI=1S/C14H14Cl2N4/c1-10(15)14-18-12-4-3-11(16)9-13(12)20(14)8-7-19-6-2-5-17-19/h2-6,9-10H,7-8H2,1H3
InChIKeyUIWJGZCBLGSEJK-UHFFFAOYSA-N
XLogP3.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.89
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

6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471398
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326511
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115471524
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
6-chloro-2-(1-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 115471528
1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 106038122

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole (CID 115471181) is 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1CCn1cccn1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
The InChIKey is UIWJGZCBLGSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-10(15)14-18-12-4-3-11(16)9-13(12)20(14)8-7-19-6-2-5-17-19/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole has a molecular weight of 309.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole is sourced from PubChem (CID 115471181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).