5-chloro-4-(difluoromethoxy)-1H-benzimidazole

C8H5ClF2N2O — CID 131117109

IUPAC5-chloro-4-(difluoromethoxy)-1H-benzimidazole
SMILESFC(F)Oc1c(Cl)ccc2[nH]cnc12
InChIInChI=1S/C8H5ClF2N2O/c9-4-1-2-5-6(13-3-12-5)7(4)14-8(10)11/h1-3,8H,(H,12,13)
InChIKeyGWYJQDRVBVTRJO-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.82
Rot. Bonds2

About 5-chloro-4-(difluoromethoxy)-1H-benzimidazole

5-chloro-4-(difluoromethoxy)-1H-benzimidazole (PubChem CID 131117109) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-4-(difluoromethoxy)-1H-benzimidazole
PubChem CID131117109
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name5-chloro-4-(difluoromethoxy)-1H-benzimidazole
SMILESFC(F)Oc1c(Cl)ccc2[nH]cnc12
InChIInChI=1S/C8H5ClF2N2O/c9-4-1-2-5-6(13-3-12-5)7(4)14-8(10)11/h1-3,8H,(H,12,13)
InChIKeyGWYJQDRVBVTRJO-UHFFFAOYSA-N
XLogP2.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-5-iodo-1H-benzimidazole
CID 131094172
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131502091
5-(difluoromethoxy)-1H-benzimidazole-4-thiol
CID 131169605
5-chloro-1H-benzimidazole-4-carbonitrile
CID 129319161
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
4-chloro-3-(difluoromethoxy)-2-methylpyridine
CID 18629352
4,5-dimethoxy-1H-benzimidazole
CID 54423692
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
7-(difluoromethoxy)-1H-benzimidazol-4-ol
CID 130827709
4-chloro-5-iodo-1H-benzimidazole
CID 130951078
1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
CID 171004207

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethoxy)-1H-benzimidazole?
The IUPAC name of 5-chloro-4-(difluoromethoxy)-1H-benzimidazole (CID 131117109) is 5-chloro-4-(difluoromethoxy)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-4-(difluoromethoxy)-1H-benzimidazole?
The canonical SMILES for 5-chloro-4-(difluoromethoxy)-1H-benzimidazole is FC(F)Oc1c(Cl)ccc2[nH]cnc12.
What is the InChIKey of 5-chloro-4-(difluoromethoxy)-1H-benzimidazole?
The InChIKey is GWYJQDRVBVTRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-4-1-2-5-6(13-3-12-5)7(4)14-8(10)11/h1-3,8H,(H,12,13).
What are the key properties of 5-chloro-4-(difluoromethoxy)-1H-benzimidazole?
5-chloro-4-(difluoromethoxy)-1H-benzimidazole has a molecular weight of 218.59 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethoxy)-1H-benzimidazole is sourced from PubChem (CID 131117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).