7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole

C14H18Cl2N2 — CID 55221624

IUPAC7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(C(C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C14H18Cl2N2/c1-4-9(2)8-18-13-11(16)6-5-7-12(13)17-14(18)10(3)15/h5-7,9-10H,4,8H2,1-3H3
InChIKeyRVHVTRFNFSJRNA-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.04
Rot. Bonds4

About 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole (PubChem CID 55221624) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
PubChem CID55221624
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(C(C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C14H18Cl2N2/c1-4-9(2)8-18-13-11(16)6-5-7-12(13)17-14(18)10(3)15/h5-7,9-10H,4,8H2,1-3H3
InChIKeyRVHVTRFNFSJRNA-UHFFFAOYSA-N
XLogP5.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 55.04
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 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole (CID 55221624) is 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole is CCC(C)Cn1c(C(C)Cl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole?
The InChIKey is RVHVTRFNFSJRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-4-9(2)8-18-13-11(16)6-5-7-12(13)17-14(18)10(3)15/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole has a molecular weight of 285.22 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole is sourced from PubChem (CID 55221624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).