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

C24H24FN3O2 — CID 118515943

IUPAC3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ncccc2F)nc2ccc(CCCO)cc21
InChIInChI=1S/C24H24FN3O2/c1-2-28-21-16-17(8-7-15-29)12-13-20(21)27-23(28)24(30,18-9-4-3-5-10-18)22-19(25)11-6-14-26-22/h3-6,9-14,16,29-30H,2,7-8,15H2,1H3
InChIKeyXPCJBGYYJHUGSC-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.80
Rot. Bonds7

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

3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol (PubChem CID 118515943) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol
PubChem CID118515943
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ncccc2F)nc2ccc(CCCO)cc21
InChIInChI=1S/C24H24FN3O2/c1-2-28-21-16-17(8-7-15-29)12-13-20(21)27-23(28)24(30,18-9-4-3-5-10-18)22-19(25)11-6-14-26-22/h3-6,9-14,16,29-30H,2,7-8,15H2,1H3
InChIKeyXPCJBGYYJHUGSC-UHFFFAOYSA-N
XLogP3.80
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.80
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-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol (CID 118515943) is 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol is CCn1c(C(O)(c2ccccc2)c2ncccc2F)nc2ccc(CCCO)cc21.
What is the InChIKey of 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol?
The InChIKey is XPCJBGYYJHUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-2-28-21-16-17(8-7-15-29)12-13-20(21)27-23(28)24(30,18-9-4-3-5-10-18)22-19(25)11-6-14-26-22/h3-6,9-14,16,29-30H,2,7-8,15H2,1H3.
What are the key properties of 3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol?
3-[3-ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol has a molecular weight of 405.47 g/mol, XLogP of 3.80, 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-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol is sourced from PubChem (CID 118515943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).