[5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol

C19H18N4O2 — CID 50952618

IUPAC[5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2c(-c3ccccc3)ncn2CCc2cn[nH]c2)o1
InChIInChI=1S/C19H18N4O2/c24-12-16-6-7-17(25-16)19-18(15-4-2-1-3-5-15)20-13-23(19)9-8-14-10-21-22-11-14/h1-7,10-11,13,24H,8-9,12H2,(H,21,22)
InChIKeyPXRAPGHSDAGIMU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.27
Rot. Bonds6

About [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol

[5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol (PubChem CID 50952618) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol
PubChem CID50952618
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2c(-c3ccccc3)ncn2CCc2cn[nH]c2)o1
InChIInChI=1S/C19H18N4O2/c24-12-16-6-7-17(25-16)19-18(15-4-2-1-3-5-15)20-13-23(19)9-8-14-10-21-22-11-14/h1-7,10-11,13,24H,8-9,12H2,(H,21,22)
InChIKeyPXRAPGHSDAGIMU-UHFFFAOYSA-N
XLogP3.27
TPSA79.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol?
The IUPAC name of [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol (CID 50952618) is [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol is OCc1ccc(-c2c(-c3ccccc3)ncn2CCc2cn[nH]c2)o1.
What is the InChIKey of [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol?
The InChIKey is PXRAPGHSDAGIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-12-16-6-7-17(25-16)19-18(15-4-2-1-3-5-15)20-13-23(19)9-8-14-10-21-22-11-14/h1-7,10-11,13,24H,8-9,12H2,(H,21,22).
What are the key properties of [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol?
[5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol has a molecular weight of 334.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-phenyl-3-[2-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]furan-2-yl]methanol is sourced from PubChem (CID 50952618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).