3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol

C24H23F2N3O2 — CID 126726358

IUPAC3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol
SMILESCCn1c(C(O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(CCCO)cc21
InChIInChI=1S/C24H23F2N3O2/c1-2-29-21-15-16(5-4-14-30)7-12-20(21)28-23(29)24(31,17-8-10-18(25)11-9-17)22-19(26)6-3-13-27-22/h3,6-13,15,30-31H,2,4-5,14H2,1H3
InChIKeyUZQLFZHDHWHEQP-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.94
Rot. Bonds7

About 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol

3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol (PubChem CID 126726358) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol
PubChem CID126726358
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol
SMILESCCn1c(C(O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(CCCO)cc21
InChIInChI=1S/C24H23F2N3O2/c1-2-29-21-15-16(5-4-14-30)7-12-20(21)28-23(29)24(31,17-8-10-18(25)11-9-17)22-19(26)6-3-13-27-22/h3,6-13,15,30-31H,2,4-5,14H2,1H3
InChIKeyUZQLFZHDHWHEQP-UHFFFAOYSA-N
XLogP3.94
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.94
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-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol (CID 126726358) is 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol is CCn1c(C(O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(CCCO)cc21.
What is the InChIKey of 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol?
The InChIKey is UZQLFZHDHWHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-2-29-21-15-16(5-4-14-30)7-12-20(21)28-23(29)24(31,17-8-10-18(25)11-9-17)22-19(26)6-3-13-27-22/h3,6-13,15,30-31H,2,4-5,14H2,1H3.
What are the key properties of 3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol?
3-[3-ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol has a molecular weight of 423.46 g/mol, XLogP of 3.94, 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-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol is sourced from PubChem (CID 126726358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).