5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole

C20H22N6O — CID 50974913

IUPAC5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
SMILESCCn1cncc1-c1c(-c2ccccc2)ncn1Cc1cc(COC)n[nH]1
InChIInChI=1S/C20H22N6O/c1-3-25-13-21-10-18(25)20-19(15-7-5-4-6-8-15)22-14-26(20)11-16-9-17(12-27-2)24-23-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,24)
InChIKeySIRYHMVIFQMQMH-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.35
Rot. Bonds7

About 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole

5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole (PubChem CID 50974913) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
PubChem CID50974913
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
SMILESCCn1cncc1-c1c(-c2ccccc2)ncn1Cc1cc(COC)n[nH]1
InChIInChI=1S/C20H22N6O/c1-3-25-13-21-10-18(25)20-19(15-7-5-4-6-8-15)22-14-26(20)11-16-9-17(12-27-2)24-23-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,24)
InChIKeySIRYHMVIFQMQMH-UHFFFAOYSA-N
XLogP3.35
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028337
ethyl 4-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
CID 46980280
ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
CID 46980282
1-allyl-4-(1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-phenyl-1H-imidazol-5-yl)-1H-pyrazole
CID 50967561
5-(1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72847615
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-4-(2-pyridinyl)-2-pyrimidinamine
CID 72888393
ethyl 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]-1H-pyrazole-5-carboxylate
CID 50953028
ethyl 4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-1H-pyrazole-3-carboxylate
CID 50985130
4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 56743181
1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole
CID 95119897
1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
CID 95206699
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(3R)-oxolan-3-yl]-4-phenylimidazole
CID 95216416

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
The IUPAC name of 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole (CID 50974913) is 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole.
What is the SMILES notation for 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
The canonical SMILES for 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole is CCn1cncc1-c1c(-c2ccccc2)ncn1Cc1cc(COC)n[nH]1.
What is the InChIKey of 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
The InChIKey is SIRYHMVIFQMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-3-25-13-21-10-18(25)20-19(15-7-5-4-6-8-15)22-14-26(20)11-16-9-17(12-27-2)24-23-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole has a molecular weight of 362.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole is sourced from PubChem (CID 50974913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).