7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole

C10H10Cl2N2 — CID 43666114

IUPAC7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1C
InChIInChI=1S/C10H10Cl2N2/c1-6(11)10-13-8-5-3-4-7(12)9(8)14(10)2/h3-6H,1-2H3
InChIKeyWCLHYOBGLDLINX-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.53
Rot. Bonds1

About 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole

7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole (PubChem CID 43666114) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
PubChem CID43666114
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1C
InChIInChI=1S/C10H10Cl2N2/c1-6(11)10-13-8-5-3-4-7(12)9(8)14(10)2/h3-6H,1-2H3
InChIKeyWCLHYOBGLDLINX-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.53
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-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853148
2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole
CID 116682119
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
7-chloro-2-(1-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79778426
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole (CID 43666114) is 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1C.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
The InChIKey is WCLHYOBGLDLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-6(11)10-13-8-5-3-4-7(12)9(8)14(10)2/h3-6H,1-2H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole?
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole has a molecular weight of 229.11 g/mol, XLogP of 3.53, 1 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-methylbenzimidazole is sourced from PubChem (CID 43666114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).