7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole

C17H16Cl2N2 — CID 43667046

IUPAC7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole
SMILESCc1ccc(-n2c(C(C)Cl)nc3cccc(Cl)c32)cc1C
InChIInChI=1S/C17H16Cl2N2/c1-10-7-8-13(9-11(10)2)21-16-14(19)5-4-6-15(16)20-17(21)12(3)18/h4-9,12H,1-3H3
InChIKeyBRVQHAQCBAVZIW-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.60
Rot. Bonds2

About 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole (PubChem CID 43667046) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole
PubChem CID43667046
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole
SMILESCc1ccc(-n2c(C(C)Cl)nc3cccc(Cl)c32)cc1C
InChIInChI=1S/C17H16Cl2N2/c1-10-7-8-13(9-11(10)2)21-16-14(19)5-4-6-15(16)20-17(21)12(3)18/h4-9,12H,1-3H3
InChIKeyBRVQHAQCBAVZIW-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.60
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-(3,4-dimethylphenyl)-7-methylbenzimidazole
CID 115552861
2-(1-chloroethyl)-1-(3,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552926
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole
CID 107637996
1-(2-bromo-5-chlorophenyl)-7-chloro-2-(1-chloroethyl)benzimidazole
CID 81279817
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552805
7-chloro-2-(1-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79778426
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
7-chloro-2-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]benzimidazole
CID 65245354

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole (CID 43667046) is 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole is Cc1ccc(-n2c(C(C)Cl)nc3cccc(Cl)c32)cc1C.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole?
The InChIKey is BRVQHAQCBAVZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-10-7-8-13(9-11(10)2)21-16-14(19)5-4-6-15(16)20-17(21)12(3)18/h4-9,12H,1-3H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.60, 2 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-(3,4-dimethylphenyl)benzimidazole is sourced from PubChem (CID 43667046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).