3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol

C17H17FN2O — CID 70920240

IUPAC3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol
SMILESCc1nc2ccc(F)cc2n1-c1ccc(CCCO)cc1
InChIInChI=1S/C17H17FN2O/c1-12-19-16-9-6-14(18)11-17(16)20(12)15-7-4-13(5-8-15)3-2-10-21/h4-9,11,21H,2-3,10H2,1H3
InChIKeyWZLFGUCBUVZFDJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.40
Rot. Bonds4

About 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol

3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol (PubChem CID 70920240) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol
PubChem CID70920240
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol
SMILESCc1nc2ccc(F)cc2n1-c1ccc(CCCO)cc1
InChIInChI=1S/C17H17FN2O/c1-12-19-16-9-6-14(18)11-17(16)20(12)15-7-4-13(5-8-15)3-2-10-21/h4-9,11,21H,2-3,10H2,1H3
InChIKeyWZLFGUCBUVZFDJ-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol (CID 70920240) is 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol is Cc1nc2ccc(F)cc2n1-c1ccc(CCCO)cc1.
What is the InChIKey of 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol?
The InChIKey is WZLFGUCBUVZFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12-19-16-9-6-14(18)11-17(16)20(12)15-7-4-13(5-8-15)3-2-10-21/h4-9,11,21H,2-3,10H2,1H3.
What are the key properties of 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol?
3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol has a molecular weight of 284.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-2-methylbenzimidazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 70920240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).