1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole

C18H22N4O — CID 95206699

IUPAC1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
SMILESCC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cc(C)[nH]n1
InChIInChI=1S/C18H22N4O/c1-4-15(11-23-3)22-12-19-17(14-8-6-5-7-9-14)18(22)16-10-13(2)20-21-16/h5-10,12,15H,4,11H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyQHFHYFQQZBFYIX-HNNXBMFYSA-N
MW310.40 g/mol
LogP3.85
Rot. Bonds6

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

1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole (PubChem CID 95206699) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
PubChem CID95206699
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
SMILESCC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cc(C)[nH]n1
InChIInChI=1S/C18H22N4O/c1-4-15(11-23-3)22-12-19-17(14-8-6-5-7-9-14)18(22)16-10-13(2)20-21-16/h5-10,12,15H,4,11H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyQHFHYFQQZBFYIX-HNNXBMFYSA-N
XLogP3.85
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
The IUPAC name of 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole (CID 95206699) is 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
The canonical SMILES for 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole is CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cc(C)[nH]n1.
What is the InChIKey of 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
The InChIKey is QHFHYFQQZBFYIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-15(11-23-3)22-12-19-17(14-8-6-5-7-9-14)18(22)16-10-13(2)20-21-16/h5-10,12,15H,4,11H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole has a molecular weight of 310.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole is sourced from PubChem (CID 95206699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).