5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole

C19H13Cl3N2O — CID 129161938

IUPAC5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H13Cl3N2O/c1-11-2-7-18(25-11)19-23-16-8-14(21)15(22)9-17(16)24(19)10-12-3-5-13(20)6-4-12/h2-9H,10H2,1H3
InChIKeyNFYBTPCGIWDZGQ-UHFFFAOYSA-N
MW391.69 g/mol
LogP6.61
Rot. Bonds3

About 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole

5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole (PubChem CID 129161938) has the molecular formula C19H13Cl3N2O and a molecular weight of 391.69 g/mol. Its IUPAC name is 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
PubChem CID129161938
Molecular FormulaC19H13Cl3N2O
Molecular Weight391.69 g/mol
Exact Mass390.01
IUPAC Name5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H13Cl3N2O/c1-11-2-7-18(25-11)19-23-16-8-14(21)15(22)9-17(16)24(19)10-12-3-5-13(20)6-4-12/h2-9H,10H2,1H3
InChIKeyNFYBTPCGIWDZGQ-UHFFFAOYSA-N
XLogP6.61
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole?
The IUPAC name of 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole (CID 129161938) is 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole.
What is the SMILES notation for 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole?
The canonical SMILES for 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole is Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole?
The InChIKey is NFYBTPCGIWDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O/c1-11-2-7-18(25-11)19-23-16-8-14(21)15(22)9-17(16)24(19)10-12-3-5-13(20)6-4-12/h2-9H,10H2,1H3.
What are the key properties of 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole?
5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole has a molecular weight of 391.69 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole is sourced from PubChem (CID 129161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).