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

C15H12Cl2N2O — CID 39158445

IUPAC5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H12Cl2N2O/c1-20-10-4-2-9(3-5-10)6-15-18-13-7-11(16)12(17)8-14(13)19-15/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyQTFYTVBDMLUHHV-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.47
Rot. Bonds3

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

5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole (PubChem CID 39158445) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole
PubChem CID39158445
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H12Cl2N2O/c1-20-10-4-2-9(3-5-10)6-15-18-13-7-11(16)12(17)8-14(13)19-15/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyQTFYTVBDMLUHHV-UHFFFAOYSA-N
XLogP4.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.47
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)methyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole (CID 39158445) is 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole is COc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole?
The InChIKey is QTFYTVBDMLUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-20-10-4-2-9(3-5-10)6-15-18-13-7-11(16)12(17)8-14(13)19-15/h2-5,7-8H,6H2,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole?
5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole has a molecular weight of 307.18 g/mol, XLogP of 4.47, 3 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)methyl]-1H-benzimidazole is sourced from PubChem (CID 39158445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).