2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole

C12H10Cl2N4 — CID 658962

IUPAC2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole
SMILESCn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21
InChIInChI=1S/C12H10Cl2N4/c1-17-9-5-3-2-4-8(9)16-10(17)6-18-7-15-11(13)12(18)14/h2-5,7H,6H2,1H3
InChIKeyLJLNQCQLVWSNHV-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.12
Rot. Bonds2

About 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole

2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole (PubChem CID 658962) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole
PubChem CID658962
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole
SMILESCn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21
InChIInChI=1S/C12H10Cl2N4/c1-17-9-5-3-2-4-8(9)16-10(17)6-18-7-15-11(13)12(18)14/h2-5,7H,6H2,1H3
InChIKeyLJLNQCQLVWSNHV-UHFFFAOYSA-N
XLogP3.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole (CID 658962) is 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole is Cn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21.
What is the InChIKey of 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole?
The InChIKey is LJLNQCQLVWSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c1-17-9-5-3-2-4-8(9)16-10(17)6-18-7-15-11(13)12(18)14/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole?
2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole has a molecular weight of 281.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloroimidazol-1-yl)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 658962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).