5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole

C14H9Cl3N2O — CID 82004585

IUPAC5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
SMILESClc1cccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C14H9Cl3N2O/c15-8-2-1-3-9(4-8)20-7-14-18-12-5-10(16)11(17)6-13(12)19-14/h1-6H,7H2,(H,18,19)
InChIKeyVFVYSWVPQHVLMI-UHFFFAOYSA-N
MW327.60 g/mol
LogP5.10
Rot. Bonds3

About 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole

5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole (PubChem CID 82004585) has the molecular formula C14H9Cl3N2O and a molecular weight of 327.60 g/mol. Its IUPAC name is 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
PubChem CID82004585
Molecular FormulaC14H9Cl3N2O
Molecular Weight327.60 g/mol
Exact Mass325.98
IUPAC Name5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
SMILESClc1cccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C14H9Cl3N2O/c15-8-2-1-3-9(4-8)20-7-14-18-12-5-10(16)11(17)6-13(12)19-14/h1-6H,7H2,(H,18,19)
InChIKeyVFVYSWVPQHVLMI-UHFFFAOYSA-N
XLogP5.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
3-[(5,6-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747407
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358909
2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63722819
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
3-[(6-bromo-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747420
2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol
CID 21188600
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole (CID 82004585) is 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole is Clc1cccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1.
What is the InChIKey of 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole?
The InChIKey is VFVYSWVPQHVLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O/c15-8-2-1-3-9(4-8)20-7-14-18-12-5-10(16)11(17)6-13(12)19-14/h1-6H,7H2,(H,18,19).
What are the key properties of 5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole?
5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole has a molecular weight of 327.60 g/mol, XLogP of 5.10, 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-[(3-chlorophenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 82004585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).