3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol

C18H19FN2O — CID 82333195

IUPAC3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol
SMILESCc1ccc2c(c1)nc(CCCO)n2Cc1cccc(F)c1
InChIInChI=1S/C18H19FN2O/c1-13-7-8-17-16(10-13)20-18(6-3-9-22)21(17)12-14-4-2-5-15(19)11-14/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3
InChIKeyHHRISYLGLDUDAB-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.46
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol

3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol (PubChem CID 82333195) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol
PubChem CID82333195
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol
SMILESCc1ccc2c(c1)nc(CCCO)n2Cc1cccc(F)c1
InChIInChI=1S/C18H19FN2O/c1-13-7-8-17-16(10-13)20-18(6-3-9-22)21(17)12-14-4-2-5-15(19)11-14/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3
InChIKeyHHRISYLGLDUDAB-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol (CID 82333195) is 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol is Cc1ccc2c(c1)nc(CCCO)n2Cc1cccc(F)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol?
The InChIKey is HHRISYLGLDUDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-7-8-17-16(10-13)20-18(6-3-9-22)21(17)12-14-4-2-5-15(19)11-14/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol?
3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol has a molecular weight of 298.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 82333195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).