methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate

C15H18N2O3 — CID 43445130

IUPACmethyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2OC)[nH]c1C(C)C
InChIInChI=1S/C15H18N2O3/c1-9(2)12-13(15(18)20-4)17-14(16-12)10-7-5-6-8-11(10)19-3/h5-9H,1-4H3,(H,16,17)
InChIKeyWDZZPCMZQBEKHJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.00
Rot. Bonds4

About methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate

methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate (PubChem CID 43445130) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
PubChem CID43445130
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2OC)[nH]c1C(C)C
InChIInChI=1S/C15H18N2O3/c1-9(2)12-13(15(18)20-4)17-14(16-12)10-7-5-6-8-11(10)19-3/h5-9H,1-4H3,(H,16,17)
InChIKeyWDZZPCMZQBEKHJ-UHFFFAOYSA-N
XLogP3.00
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
diethyl 2-[4-methoxycarbonyl-2-(2-methoxyphenyl)-1H-benzimidazol-5-yl]propanedioate
CID 59645488
methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 64693085
3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301524
methyl 2-(2-ethoxyphenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 28556320
methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 43445072
methyl 2-(2-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61414281
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
2-ethyl-2-[[4-methoxycarbonyl-2-(2-methoxyphenyl)-1H-benzimidazol-5-yl]oxycarbonyl]butanoic acid
CID 91225999
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate (CID 43445130) is methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2OC)[nH]c1C(C)C.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate?
The InChIKey is WDZZPCMZQBEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)12-13(15(18)20-4)17-14(16-12)10-7-5-6-8-11(10)19-3/h5-9H,1-4H3,(H,16,17).
What are the key properties of methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate?
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 43445130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).