[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol

C9H8F2N2O — CID 130777663

IUPAC[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
SMILESOCc1cc(C(F)F)c2nc[nH]c2c1
InChIInChI=1S/C9H8F2N2O/c10-9(11)6-1-5(3-14)2-7-8(6)13-4-12-7/h1-2,4,9,14H,3H2,(H,12,13)
InChIKeyIAMWCTZORZTWLV-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.99
Rot. Bonds2

About [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol

[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol (PubChem CID 130777663) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
PubChem CID130777663
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
SMILESOCc1cc(C(F)F)c2nc[nH]c2c1
InChIInChI=1S/C9H8F2N2O/c10-9(11)6-1-5(3-14)2-7-8(6)13-4-12-7/h1-2,4,9,14H,3H2,(H,12,13)
InChIKeyIAMWCTZORZTWLV-UHFFFAOYSA-N
XLogP1.99
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7-iodo-3H-benzimidazol-5-yl)methanol
CID 130781732
4-(difluoromethyl)-6-iodo-1H-benzimidazole
CID 130952734
4-chloro-6-(2-methylpropyl)-1H-benzimidazole
CID 154656324
[6-(aminomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118831070
3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
CID 83891497
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
[5-(difluoromethyl)-6-methyl-3-pyridinyl]methanol
CID 130097700
4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131092157
6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine
CID 83884805
6-(chloromethyl)-1H-benzimidazole-4-carbonyl chloride
CID 130772160
1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine
CID 131256928

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol (CID 130777663) is [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol is OCc1cc(C(F)F)c2nc[nH]c2c1.
What is the InChIKey of [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol?
The InChIKey is IAMWCTZORZTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-9(11)6-1-5(3-14)2-7-8(6)13-4-12-7/h1-2,4,9,14H,3H2,(H,12,13).
What are the key properties of [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol?
[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol has a molecular weight of 198.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 130777663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).