6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole

C16H14Cl2N2 — CID 115471149

IUPAC6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(CCl)nc3ccc(Cl)cc32)c1
InChIInChI=1S/C16H14Cl2N2/c1-11-3-2-4-12(7-11)10-20-15-8-13(18)5-6-14(15)19-16(20)9-17/h2-8H,9-10H2,1H3
InChIKeyLUMKNXGBJGMBDF-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.79
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole

6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole (PubChem CID 115471149) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
PubChem CID115471149
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(CCl)nc3ccc(Cl)cc32)c1
InChIInChI=1S/C16H14Cl2N2/c1-11-3-2-4-12(7-11)10-20-15-8-13(18)5-6-14(15)19-16(20)9-17/h2-8H,9-10H2,1H3
InChIKeyLUMKNXGBJGMBDF-UHFFFAOYSA-N
XLogP4.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.79
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-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
CID 115471492
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
2-(chloromethyl)-4,6-difluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 115509254
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701318
2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 115471283

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole (CID 115471149) is 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole is Cc1cccc(Cn2c(CCl)nc3ccc(Cl)cc32)c1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole?
The InChIKey is LUMKNXGBJGMBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-11-3-2-4-12(7-11)10-20-15-8-13(18)5-6-14(15)19-16(20)9-17/h2-8H,9-10H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole?
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole has a molecular weight of 305.21 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 115471149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).