3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate

C17H22N2O4 — CID 71905690

IUPAC3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCCC(C)OC)c(C)[nH]2)c1
InChIInChI=1S/C17H22N2O4/c1-11(21-3)8-9-23-17(20)15-12(2)18-16(19-15)13-6-5-7-14(10-13)22-4/h5-7,10-11H,8-9H2,1-4H3,(H,18,19)
InChIKeyIOXPQPVMOJFPIO-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.98
Rot. Bonds7

About 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate

3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 71905690) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID71905690
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCCC(C)OC)c(C)[nH]2)c1
InChIInChI=1S/C17H22N2O4/c1-11(21-3)8-9-23-17(20)15-12(2)18-16(19-15)13-6-5-7-14(10-13)22-4/h5-7,10-11H,8-9H2,1-4H3,(H,18,19)
InChIKeyIOXPQPVMOJFPIO-UHFFFAOYSA-N
XLogP2.98
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 84592763
3-methoxybutyl 3-methoxybenzoate
CID 71869294
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 75433034
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 75389681
1-O-[(3S)-3-methoxybutyl] 2-O-[(3R)-3-methoxybutyl] benzene-1,2-dicarboxylate
CID 92537941
(E)-3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82300310
[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997600
guanidine;methylsulfonyl 2-(3-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 87728562
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203

Frequently Asked Questions

What is the IUPAC name of 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 71905690) is 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate is COc1cccc(-c2nc(C(=O)OCCC(C)OC)c(C)[nH]2)c1.
What is the InChIKey of 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is IOXPQPVMOJFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(21-3)8-9-23-17(20)15-12(2)18-16(19-15)13-6-5-7-14(10-13)22-4/h5-7,10-11H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 71905690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).