[4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol

C22H22N4O — CID 50948986

IUPAC[4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc(CO)cc2)cn1
InChIInChI=1S/C22H22N4O/c1-2-26-14-20(12-24-26)22-21(19-6-4-3-5-7-19)23-16-25(22)13-17-8-10-18(15-27)11-9-17/h3-12,14,16,27H,2,13,15H2,1H3
InChIKeyRRVYHCROTMKWBK-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.97
Rot. Bonds6

About [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol

[4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol (PubChem CID 50948986) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol
PubChem CID50948986
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc(CO)cc2)cn1
InChIInChI=1S/C22H22N4O/c1-2-26-14-20(12-24-26)22-21(19-6-4-3-5-7-19)23-16-25(22)13-17-8-10-18(15-27)11-9-17/h3-12,14,16,27H,2,13,15H2,1H3
InChIKeyRRVYHCROTMKWBK-UHFFFAOYSA-N
XLogP3.97
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol (CID 50948986) is [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol is CCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc(CO)cc2)cn1.
What is the InChIKey of [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol?
The InChIKey is RRVYHCROTMKWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-26-14-20(12-24-26)22-21(19-6-4-3-5-7-19)23-16-25(22)13-17-8-10-18(15-27)11-9-17/h3-12,14,16,27H,2,13,15H2,1H3.
What are the key properties of [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol?
[4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol has a molecular weight of 358.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 50948986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).