[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol

C20H20FN3O2 — CID 118956718

IUPAC[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol
SMILESCc1nc(-c2ccc(F)cc2OCC2CC2)c(-c2cc(CO)ccn2)[nH]1
InChIInChI=1S/C20H20FN3O2/c1-12-23-19(20(24-12)17-8-14(10-25)6-7-22-17)16-5-4-15(21)9-18(16)26-11-13-2-3-13/h4-9,13,25H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyREMLCBLTSMTIMQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.87
Rot. Bonds6

About [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol

[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol (PubChem CID 118956718) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol
PubChem CID118956718
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol
SMILESCc1nc(-c2ccc(F)cc2OCC2CC2)c(-c2cc(CO)ccn2)[nH]1
InChIInChI=1S/C20H20FN3O2/c1-12-23-19(20(24-12)17-8-14(10-25)6-7-22-17)16-5-4-15(21)9-18(16)26-11-13-2-3-13/h4-9,13,25H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyREMLCBLTSMTIMQ-UHFFFAOYSA-N
XLogP3.87
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol (CID 118956718) is [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol is Cc1nc(-c2ccc(F)cc2OCC2CC2)c(-c2cc(CO)ccn2)[nH]1.
What is the InChIKey of [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol?
The InChIKey is REMLCBLTSMTIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-23-19(20(24-12)17-8-14(10-25)6-7-22-17)16-5-4-15(21)9-18(16)26-11-13-2-3-13/h4-9,13,25H,2-3,10-11H2,1H3,(H,23,24).
What are the key properties of [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol?
[2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol has a molecular weight of 353.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-imidazol-5-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 118956718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).