2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole

C14H9Cl3N2O — CID 69246591

IUPAC2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C14H9Cl3N2O/c1-20-9-4-2-8(3-5-9)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h2-7H,1H3
InChIKeyHEKMCXFFSXDFCR-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.99
Rot. Bonds2

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

2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole (PubChem CID 69246591) has the molecular formula C14H9Cl3N2O and a molecular weight of 327.60 g/mol. Its IUPAC name is 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole
PubChem CID69246591
Molecular FormulaC14H9Cl3N2O
Molecular Weight327.60 g/mol
Exact Mass325.98
IUPAC Name2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C14H9Cl3N2O/c1-20-9-4-2-8(3-5-9)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h2-7H,1H3
InChIKeyHEKMCXFFSXDFCR-UHFFFAOYSA-N
XLogP4.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,6-trichloro-1-(4-propoxyphenyl)benzimidazole
CID 69243117
2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole
CID 168729104
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
5-chloro-2-(1-chloroethyl)-1-(4-methoxyphenyl)benzimidazole
CID 43666701
2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43666703
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 69245551
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
3-chloro-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63383869
2-(1-chloroethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43666710
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol
CID 54573091

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole (CID 69246591) is 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole is COc1ccc(-n2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole?
The InChIKey is HEKMCXFFSXDFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O/c1-20-9-4-2-8(3-5-9)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h2-7H,1H3.
What are the key properties of 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole?
2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole has a molecular weight of 327.60 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 69246591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).