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

C16H18Cl2N2 — CID 115471255

IUPAC6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C(C1CC1)C1CC1
InChIInChI=1S/C16H18Cl2N2/c1-9(17)16-19-13-7-6-12(18)8-14(13)20(16)15(10-2-3-10)11-4-5-11/h6-11,15H,2-5H2,1H3
InChIKeyQEVKQEPWYMVRIR-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.35
Rot. Bonds4

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

6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole (PubChem CID 115471255) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
PubChem CID115471255
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C(C1CC1)C1CC1
InChIInChI=1S/C16H18Cl2N2/c1-9(17)16-19-13-7-6-12(18)8-14(13)20(16)15(10-2-3-10)11-4-5-11/h6-11,15H,2-5H2,1H3
InChIKeyQEVKQEPWYMVRIR-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593534
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113316180
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081644
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442
6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115471085
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
CID 115471645
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
ethyl 2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propanoate
CID 115471261

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole (CID 115471255) is 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1C(C1CC1)C1CC1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole?
The InChIKey is QEVKQEPWYMVRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-9(17)16-19-13-7-6-12(18)8-14(13)20(16)15(10-2-3-10)11-4-5-11/h6-11,15H,2-5H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole has a molecular weight of 309.24 g/mol, XLogP of 5.35, 4 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-(dicyclopropylmethyl)benzimidazole is sourced from PubChem (CID 115471255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).