6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole

C16H14Cl2N2O — CID 115471046

IUPAC6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole
SMILESCCOc1ccccc1-n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H14Cl2N2O/c1-2-21-15-6-4-3-5-13(15)20-14-9-11(18)7-8-12(14)19-16(20)10-17/h3-9H,2,10H2,1H3
InChIKeyLDVCRDGBAJGNRS-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.82
Rot. Bonds4

About 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole

6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole (PubChem CID 115471046) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole
PubChem CID115471046
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole
SMILESCCOc1ccccc1-n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H14Cl2N2O/c1-2-21-15-6-4-3-5-13(15)20-14-9-11(18)7-8-12(14)19-16(20)10-17/h3-9H,2,10H2,1H3
InChIKeyLDVCRDGBAJGNRS-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104715332
2-(chloromethyl)-3-(2-ethoxyphenyl)pyrido[3,4-d]pyrimidin-4-one
CID 89347691
2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide
CID 139704441
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819
6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
CID 115471671
1-(2-bromo-3-methylphenyl)-6-chloro-2-(2-chloroethyl)benzimidazole
CID 115471778
3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
CID 103593316
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole (CID 115471046) is 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole is CCOc1ccccc1-n1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole?
The InChIKey is LDVCRDGBAJGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-2-21-15-6-4-3-5-13(15)20-14-9-11(18)7-8-12(14)19-16(20)10-17/h3-9H,2,10H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole has a molecular weight of 321.21 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole is sourced from PubChem (CID 115471046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).