5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole

C14H8Cl2F2N2O — CID 82005562

IUPAC5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)Oc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C14H8Cl2F2N2O/c15-9-5-11-12(6-10(9)16)20-13(19-11)7-2-1-3-8(4-7)21-14(17)18/h1-6,14H,(H,19,20)
InChIKeyMMNCIMOPNSPYGO-UHFFFAOYSA-N
MW329.13 g/mol
LogP5.14
Rot. Bonds3

About 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole

5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole (PubChem CID 82005562) has the molecular formula C14H8Cl2F2N2O and a molecular weight of 329.13 g/mol. Its IUPAC name is 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole
PubChem CID82005562
Molecular FormulaC14H8Cl2F2N2O
Molecular Weight329.13 g/mol
Exact Mass328.00
IUPAC Name5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)Oc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C14H8Cl2F2N2O/c15-9-5-11-12(6-10(9)16)20-13(19-11)7-2-1-3-8(4-7)21-14(17)18/h1-6,14H,(H,19,20)
InChIKeyMMNCIMOPNSPYGO-UHFFFAOYSA-N
XLogP5.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.13
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine
CID 63692783
2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137452
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483074
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole (CID 82005562) is 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole is FC(F)Oc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1.
What is the InChIKey of 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole?
The InChIKey is MMNCIMOPNSPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2O/c15-9-5-11-12(6-10(9)16)20-13(19-11)7-2-1-3-8(4-7)21-14(17)18/h1-6,14H,(H,19,20).
What are the key properties of 5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole?
5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole has a molecular weight of 329.13 g/mol, XLogP of 5.14, 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-(difluoromethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 82005562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).