5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole

C18H18N6O — CID 50956122

IUPAC5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
SMILESCOCc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)[nH]n1
InChIInChI=1S/C18H18N6O/c1-25-11-15-9-14(22-23-15)10-24-12-21-16(13-5-3-2-4-6-13)17(24)18-19-7-8-20-18/h2-9,12H,10-11H2,1H3,(H,19,20)(H,22,23)
InChIKeyQFPRBNFMFSRIBG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.86
Rot. Bonds6

About 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole

5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole (PubChem CID 50956122) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
PubChem CID50956122
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
SMILESCOCc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)[nH]n1
InChIInChI=1S/C18H18N6O/c1-25-11-15-9-14(22-23-15)10-24-12-21-16(13-5-3-2-4-6-13)17(24)18-19-7-8-20-18/h2-9,12H,10-11H2,1H3,(H,19,20)(H,22,23)
InChIKeyQFPRBNFMFSRIBG-UHFFFAOYSA-N
XLogP2.86
TPSA84.41 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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole (CID 50956122) is 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole is COCc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)[nH]n1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
The InChIKey is QFPRBNFMFSRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-25-11-15-9-14(22-23-15)10-24-12-21-16(13-5-3-2-4-6-13)17(24)18-19-7-8-20-18/h2-9,12H,10-11H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole?
5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole has a molecular weight of 334.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole is sourced from PubChem (CID 50956122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).