6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole

C10H9Cl3N2 — CID 177022060

IUPAC6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Cl)cc2[nH]c(C(C)(Cl)Cl)nc12
InChIInChI=1S/C10H9Cl3N2/c1-5-3-6(11)4-7-8(5)15-9(14-7)10(2,12)13/h3-4H,1-2H3,(H,14,15)
InChIKeyPTSDFWFLEDZUQP-UHFFFAOYSA-N
MW263.56 g/mol
LogP4.18
Rot. Bonds1

About 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole

6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole (PubChem CID 177022060) has the molecular formula C10H9Cl3N2 and a molecular weight of 263.56 g/mol. Its IUPAC name is 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole
PubChem CID177022060
Molecular FormulaC10H9Cl3N2
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Cl)cc2[nH]c(C(C)(Cl)Cl)nc12
InChIInChI=1S/C10H9Cl3N2/c1-5-3-6(11)4-7-8(5)15-9(14-7)10(2,12)13/h3-4H,1-2H3,(H,14,15)
InChIKeyPTSDFWFLEDZUQP-UHFFFAOYSA-N
XLogP4.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(azidomethyl)-2-tert-butyl-6-chloro-1H-benzimidazole
CID 91501062
4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
CID 82939905
6-chloro-4-fluoro-2-methyl-1H-benzimidazole
CID 142431820
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70747994
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
6-bromo-4-chloro-2-(trichloromethyl)-1H-benzimidazole
CID 177022096
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196
4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole
CID 23131920
6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
CID 130632057
6-chloro-2-methyl-4-propyl-1H-benzimidazole
CID 173254134

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole (CID 177022060) is 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole is Cc1cc(Cl)cc2[nH]c(C(C)(Cl)Cl)nc12.
What is the InChIKey of 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole?
The InChIKey is PTSDFWFLEDZUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2/c1-5-3-6(11)4-7-8(5)15-9(14-7)10(2,12)13/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole?
6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole has a molecular weight of 263.56 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1-dichloroethyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 177022060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).