methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate

C16H14N2O2 — CID 174719028

IUPACmethyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(-n2cnc(C)c2)c2ccccc12
InChIInChI=1S/C16H14N2O2/c1-11-9-18(10-17-11)15-8-7-14(16(19)20-2)12-5-3-4-6-13(12)15/h3-10H,1-2H3
InChIKeyBYVHWGUWRIEQEL-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds2

About methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate

methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate (PubChem CID 174719028) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate
PubChem CID174719028
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(-n2cnc(C)c2)c2ccccc12
InChIInChI=1S/C16H14N2O2/c1-11-9-18(10-17-11)15-8-7-14(16(19)20-2)12-5-3-4-6-13(12)15/h3-10H,1-2H3
InChIKeyBYVHWGUWRIEQEL-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-fluoro-5-(4-methylimidazol-1-yl)benzoate
CID 170700293
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 3-(4-methylimidazol-1-yl)benzoate
CID 22224935
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate
CID 22024954
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-(2-iodophenyl)-4-methylimidazole
CID 152683666
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
CID 166000497
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate?
The IUPAC name of methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate (CID 174719028) is methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate is COC(=O)c1ccc(-n2cnc(C)c2)c2ccccc12.
What is the InChIKey of methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate?
The InChIKey is BYVHWGUWRIEQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-9-18(10-17-11)15-8-7-14(16(19)20-2)12-5-3-4-6-13(12)15/h3-10H,1-2H3.
What are the key properties of methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate?
methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 174719028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).