2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole

C18H22N4O2 — CID 95893805

IUPAC2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole
SMILESCOc1cccc(-c2nccn2[C@@H](C)Cc2cc(C)[nH]n2)c1OC
InChIInChI=1S/C18H22N4O2/c1-12-10-14(21-20-12)11-13(2)22-9-8-19-18(22)15-6-5-7-16(23-3)17(15)24-4/h5-10,13H,11H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyWRCMYBZAGGRNQV-ZDUSSCGKSA-N
MW326.40 g/mol
LogP3.40
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole

2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole (PubChem CID 95893805) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole
PubChem CID95893805
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole
SMILESCOc1cccc(-c2nccn2[C@@H](C)Cc2cc(C)[nH]n2)c1OC
InChIInChI=1S/C18H22N4O2/c1-12-10-14(21-20-12)11-13(2)22-9-8-19-18(22)15-6-5-7-16(23-3)17(15)24-4/h5-10,13H,11H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyWRCMYBZAGGRNQV-ZDUSSCGKSA-N
XLogP3.40
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole (CID 95893805) is 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole is COc1cccc(-c2nccn2[C@@H](C)Cc2cc(C)[nH]n2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole?
The InChIKey is WRCMYBZAGGRNQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-14(21-20-12)11-13(2)22-9-8-19-18(22)15-6-5-7-16(23-3)17(15)24-4/h5-10,13H,11H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole?
2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole has a molecular weight of 326.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole is sourced from PubChem (CID 95893805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).