3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol

C25H26FN3O2 — CID 126726351

IUPAC3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol
SMILESCCn1c(C(O)(c2ccccc2F)c2ncccc2C)nc2ccc(CCCO)cc21
InChIInChI=1S/C25H26FN3O2/c1-3-29-22-16-18(9-7-15-30)12-13-21(22)28-24(29)25(31,19-10-4-5-11-20(19)26)23-17(2)8-6-14-27-23/h4-6,8,10-14,16,30-31H,3,7,9,15H2,1-2H3
InChIKeyVGWUCTPBTYUTCW-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.11
Rot. Bonds7

About 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol

3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol (PubChem CID 126726351) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol
PubChem CID126726351
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol
SMILESCCn1c(C(O)(c2ccccc2F)c2ncccc2C)nc2ccc(CCCO)cc21
InChIInChI=1S/C25H26FN3O2/c1-3-29-22-16-18(9-7-15-30)12-13-21(22)28-24(29)25(31,19-10-4-5-11-20(19)26)23-17(2)8-6-14-27-23/h4-6,8,10-14,16,30-31H,3,7,9,15H2,1-2H3
InChIKeyVGWUCTPBTYUTCW-UHFFFAOYSA-N
XLogP4.11
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol (CID 126726351) is 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol is CCn1c(C(O)(c2ccccc2F)c2ncccc2C)nc2ccc(CCCO)cc21.
What is the InChIKey of 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol?
The InChIKey is VGWUCTPBTYUTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-3-29-22-16-18(9-7-15-30)12-13-21(22)28-24(29)25(31,19-10-4-5-11-20(19)26)23-17(2)8-6-14-27-23/h4-6,8,10-14,16,30-31H,3,7,9,15H2,1-2H3.
What are the key properties of 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol?
3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol has a molecular weight of 419.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol is sourced from PubChem (CID 126726351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).