5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole

C14H10Cl2N2O — CID 39158436

IUPAC5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H10Cl2N2O/c1-19-9-4-2-8(3-5-9)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyJLIRKWNSQGIMJK-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.55
Rot. Bonds2

About 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole

5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole (PubChem CID 39158436) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole
PubChem CID39158436
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H10Cl2N2O/c1-19-9-4-2-8(3-5-9)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyJLIRKWNSQGIMJK-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 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole (CID 39158436) is 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is JLIRKWNSQGIMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-19-9-4-2-8(3-5-9)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole?
5,6-dichloro-2-(4-methoxyphenyl)-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 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 39158436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).