1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole

C20H24N4O — CID 95119897

IUPAC1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole
SMILESCOC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1C=C(C)C
InChIInChI=1S/C20H24N4O/c1-15(2)12-18-20(16-8-6-5-7-9-16)21-14-24(18)19(13-25-4)17-10-11-22-23(17)3/h5-12,14,19H,13H2,1-4H3/t19-/m0/s1
InChIKeyLRAPRJFUYPSGFV-IBGZPJMESA-N
MW336.44 g/mol
LogP3.94
Rot. Bonds6

About 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole

1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole (PubChem CID 95119897) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole
PubChem CID95119897
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole
SMILESCOC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1C=C(C)C
InChIInChI=1S/C20H24N4O/c1-15(2)12-18-20(16-8-6-5-7-9-16)21-14-24(18)19(13-25-4)17-10-11-22-23(17)3/h5-12,14,19H,13H2,1-4H3/t19-/m0/s1
InChIKeyLRAPRJFUYPSGFV-IBGZPJMESA-N
XLogP3.94
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole?
The IUPAC name of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole (CID 95119897) is 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole.
What is the SMILES notation for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole?
The canonical SMILES for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole is COC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1C=C(C)C.
What is the InChIKey of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole?
The InChIKey is LRAPRJFUYPSGFV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(2)12-18-20(16-8-6-5-7-9-16)21-14-24(18)19(13-25-4)17-10-11-22-23(17)3/h5-12,14,19H,13H2,1-4H3/t19-/m0/s1.
What are the key properties of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole?
1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole has a molecular weight of 336.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole is sourced from PubChem (CID 95119897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).