4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole

C14H10Cl2N2O — CID 91686434

IUPAC4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1cc(Cl)c2nc(-c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C14H10Cl2N2O/c1-19-8-6-11(16)13-12(7-8)17-14(18-13)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyFRERBHPHQQLCRS-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.55
Rot. Bonds2

About 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole

4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole (PubChem CID 91686434) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
PubChem CID91686434
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1cc(Cl)c2nc(-c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C14H10Cl2N2O/c1-19-8-6-11(16)13-12(7-8)17-14(18-13)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyFRERBHPHQQLCRS-UHFFFAOYSA-N
XLogP4.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole (CID 91686434) is 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole is COc1cc(Cl)c2nc(-c3ccccc3Cl)[nH]c2c1.
What is the InChIKey of 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is FRERBHPHQQLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-19-8-6-11(16)13-12(7-8)17-14(18-13)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole?
4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 293.15 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 91686434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).