2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid

C18H22N4O4 — CID 154924176

IUPAC2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
SMILESCOc1cccc(-c2nccn2CCc2cnn(C)c2)c1OC.O=CO
InChIInChI=1S/C17H20N4O2.CH2O2/c1-20-12-13(11-19-20)7-9-21-10-8-18-17(21)14-5-4-6-15(22-2)16(14)23-3;2-1-3/h4-6,8,10-12H,7,9H2,1-3H3;1H,(H,2,3)
InChIKeyLJFBFUKUZXVYIB-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.24
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid

2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid (PubChem CID 154924176) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
PubChem CID154924176
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
SMILESCOc1cccc(-c2nccn2CCc2cnn(C)c2)c1OC.O=CO
InChIInChI=1S/C17H20N4O2.CH2O2/c1-20-12-13(11-19-20)7-9-21-10-8-18-17(21)14-5-4-6-15(22-2)16(14)23-3;2-1-3/h4-6,8,10-12H,7,9H2,1-3H3;1H,(H,2,3)
InChIKeyLJFBFUKUZXVYIB-UHFFFAOYSA-N
XLogP2.24
TPSA91.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
CID 155940294
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
CID 154922508
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999649
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960
4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56877204
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid (CID 154924176) is 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid is COc1cccc(-c2nccn2CCc2cnn(C)c2)c1OC.O=CO.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid?
The InChIKey is LJFBFUKUZXVYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.CH2O2/c1-20-12-13(11-19-20)7-9-21-10-8-18-17(21)14-5-4-6-15(22-2)16(14)23-3;2-1-3/h4-6,8,10-12H,7,9H2,1-3H3;1H,(H,2,3).
What are the key properties of 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid?
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid has a molecular weight of 358.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid is sourced from PubChem (CID 154924176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).