6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole

C13H14Cl2N2 — CID 115470751

IUPAC6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CC1CC1
InChIInChI=1S/C13H14Cl2N2/c1-8(14)13-16-11-5-4-10(15)6-12(11)17(13)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3
InChIKeyWYKIBFPYVUOGIH-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole (PubChem CID 115470751) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
PubChem CID115470751
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CC1CC1
InChIInChI=1S/C13H14Cl2N2/c1-8(14)13-16-11-5-4-10(15)6-12(11)17(13)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3
InChIKeyWYKIBFPYVUOGIH-UHFFFAOYSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole (CID 115470751) is 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1CC1CC1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole?
The InChIKey is WYKIBFPYVUOGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-8(14)13-16-11-5-4-10(15)6-12(11)17(13)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole has a molecular weight of 269.18 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole is sourced from PubChem (CID 115470751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).