7-(difluoromethoxy)-1H-benzimidazol-4-ol

C8H6F2N2O2 — CID 130827709

IUPAC7-(difluoromethoxy)-1H-benzimidazol-4-ol
SMILESOc1ccc(OC(F)F)c2[nH]cnc12
InChIInChI=1S/C8H6F2N2O2/c9-8(10)14-5-2-1-4(13)6-7(5)12-3-11-6/h1-3,8,13H,(H,11,12)
InChIKeyXOFZBBWXNSYNHD-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.87
Rot. Bonds2

About 7-(difluoromethoxy)-1H-benzimidazol-4-ol

7-(difluoromethoxy)-1H-benzimidazol-4-ol (PubChem CID 130827709) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 7-(difluoromethoxy)-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name7-(difluoromethoxy)-1H-benzimidazol-4-ol
PubChem CID130827709
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name7-(difluoromethoxy)-1H-benzimidazol-4-ol
SMILESOc1ccc(OC(F)F)c2[nH]cnc12
InChIInChI=1S/C8H6F2N2O2/c9-8(10)14-5-2-1-4(13)6-7(5)12-3-11-6/h1-3,8,13H,(H,11,12)
InChIKeyXOFZBBWXNSYNHD-UHFFFAOYSA-N
XLogP1.87
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(difluoromethoxy)-1H-benzimidazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde
CID 131545387
5-(difluoromethoxy)-1H-benzimidazole-4-thiol
CID 131169605
5-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131117109
2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol
CID 90115088
7-(difluoromethoxy)-3H-benzimidazole-5-carbaldehyde
CID 131435625
4-(difluoromethoxy)-5-iodo-1H-benzimidazole
CID 131094172
7-hydroxy-1H-benzimidazole-4-carbaldehyde
CID 87374282
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-1H-benzimidazol-4-ol?
The IUPAC name of 7-(difluoromethoxy)-1H-benzimidazol-4-ol (CID 130827709) is 7-(difluoromethoxy)-1H-benzimidazol-4-ol.
What is the SMILES notation for 7-(difluoromethoxy)-1H-benzimidazol-4-ol?
The canonical SMILES for 7-(difluoromethoxy)-1H-benzimidazol-4-ol is Oc1ccc(OC(F)F)c2[nH]cnc12.
What is the InChIKey of 7-(difluoromethoxy)-1H-benzimidazol-4-ol?
The InChIKey is XOFZBBWXNSYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c9-8(10)14-5-2-1-4(13)6-7(5)12-3-11-6/h1-3,8,13H,(H,11,12).
What are the key properties of 7-(difluoromethoxy)-1H-benzimidazol-4-ol?
7-(difluoromethoxy)-1H-benzimidazol-4-ol has a molecular weight of 200.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-1H-benzimidazol-4-ol is sourced from PubChem (CID 130827709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).