2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol

C10H11FN2O — CID 64724359

IUPAC2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C10H11FN2O/c1-10(2,14)9-12-7-5-3-4-6(11)8(7)13-9/h3-5,14H,1-2H3,(H,12,13)
InChIKeyHBLFRTXUCMWSAB-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.93
Rot. Bonds1

About 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol

2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol (PubChem CID 64724359) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
PubChem CID64724359
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C10H11FN2O/c1-10(2,14)9-12-7-5-3-4-6(11)8(7)13-9/h3-5,14H,1-2H3,(H,12,13)
InChIKeyHBLFRTXUCMWSAB-UHFFFAOYSA-N
XLogP1.93
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol (CID 64724359) is 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol is CC(C)(O)c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol?
The InChIKey is HBLFRTXUCMWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-10(2,14)9-12-7-5-3-4-6(11)8(7)13-9/h3-5,14H,1-2H3,(H,12,13).
What are the key properties of 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol?
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol has a molecular weight of 194.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 64724359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).