1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole

C22H22N4O — CID 50959239

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole
SMILESCCn1cc(Cn2cnc(-c3ccccc3)c2/C(C)=C/c2ccco2)cn1
InChIInChI=1S/C22H22N4O/c1-3-26-15-18(13-24-26)14-25-16-23-21(19-8-5-4-6-9-19)22(25)17(2)12-20-10-7-11-27-20/h4-13,15-16H,3,14H2,1-2H3/b17-12+
InChIKeyWKBWZMAWPUTOIZ-SFQUDFHCSA-N
MW358.45 g/mol
LogP4.97
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole

1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole (PubChem CID 50959239) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole
PubChem CID50959239
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole
SMILESCCn1cc(Cn2cnc(-c3ccccc3)c2/C(C)=C/c2ccco2)cn1
InChIInChI=1S/C22H22N4O/c1-3-26-15-18(13-24-26)14-25-16-23-21(19-8-5-4-6-9-19)22(25)17(2)12-20-10-7-11-27-20/h4-13,15-16H,3,14H2,1-2H3/b17-12+
InChIKeyWKBWZMAWPUTOIZ-SFQUDFHCSA-N
XLogP4.97
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
1-[4-[1-[2-[2-[(E)-2-(furan-2-yl)ethenyl]-5-nitroimidazol-1-yl]ethyl]triazol-4-yl]phenyl]ethanone
CID 162672714
N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3133620
(E)-3-(4,5-diphenyl-1H-imidazol-1-yl)-N'-(furan-2-ylmethylene)propanehydrazide
CID 9619656
4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine
CID 46995377
5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 155552655
3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
CID 5534436
6-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
CID 3968341
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 16677114
4-(3-{1-[(1-methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl}phenyl)furo[3,2-c]pyridine
CID 28641435
4-[1-(2-furylmethyl)-4-phenyl-1H-imidazol-5-yl]-2-isopropylpyrimidine
CID 50953441
1-{4-[1-(2-furylmethyl)-4-phenyl-1H-imidazol-5-yl]phenyl}-1H-1,2,4-triazole
CID 50979997

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole (CID 50959239) is 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole is CCn1cc(Cn2cnc(-c3ccccc3)c2/C(C)=C/c2ccco2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole?
The InChIKey is WKBWZMAWPUTOIZ-SFQUDFHCSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-26-15-18(13-24-26)14-25-16-23-21(19-8-5-4-6-9-19)22(25)17(2)12-20-10-7-11-27-20/h4-13,15-16H,3,14H2,1-2H3/b17-12+.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole?
1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole has a molecular weight of 358.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazole is sourced from PubChem (CID 50959239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).