[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate

C19H18N2O3 — CID 51341654

IUPAC[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
SMILESCc1ccc(COc2ccc(COC(=O)n3ccnc3)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-15-2-4-16(5-3-15)12-23-18-8-6-17(7-9-18)13-24-19(22)21-11-10-20-14-21/h2-11,14H,12-13H2,1H3
InChIKeyRKMJFLQMWAWNLR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.96
Rot. Bonds5

About [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate

[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate (PubChem CID 51341654) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
PubChem CID51341654
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
SMILESCc1ccc(COc2ccc(COC(=O)n3ccnc3)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-15-2-4-16(5-3-15)12-23-18-8-6-17(7-9-18)13-24-19(22)21-11-10-20-14-21/h2-11,14H,12-13H2,1H3
InChIKeyRKMJFLQMWAWNLR-UHFFFAOYSA-N
XLogP3.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
[4-(trifluoromethyl)phenyl]methyl imidazole-1-carboxylate
CID 68882567
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
[4-[(2S,3S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]methyl imidazole-1-carboxylate
CID 71027414
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 170162201

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate?
The IUPAC name of [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate (CID 51341654) is [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate.
What is the SMILES notation for [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate?
The canonical SMILES for [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate is Cc1ccc(COc2ccc(COC(=O)n3ccnc3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate?
The InChIKey is RKMJFLQMWAWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-15-2-4-16(5-3-15)12-23-18-8-6-17(7-9-18)13-24-19(22)21-11-10-20-14-21/h2-11,14H,12-13H2,1H3.
What are the key properties of [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate?
[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate is sourced from PubChem (CID 51341654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).