methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate

C14H15N3O4 — CID 67115132

IUPACmethyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ncc[nH]2)cc1OC
InChIInChI=1S/C14H15N3O4/c1-20-11-7-9(3-4-10(11)14(19)21-2)8-17-13(18)12-15-5-6-16-12/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYGNWJYLQVNNAMW-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.13
Rot. Bonds5

About methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate

methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate (PubChem CID 67115132) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate
PubChem CID67115132
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ncc[nH]2)cc1OC
InChIInChI=1S/C14H15N3O4/c1-20-11-7-9(3-4-10(11)14(19)21-2)8-17-13(18)12-15-5-6-16-12/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYGNWJYLQVNNAMW-UHFFFAOYSA-N
XLogP1.13
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate (CID 67115132) is methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate is COC(=O)c1ccc(CNC(=O)c2ncc[nH]2)cc1OC.
What is the InChIKey of methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate?
The InChIKey is YGNWJYLQVNNAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-11-7-9(3-4-10(11)14(19)21-2)8-17-13(18)12-15-5-6-16-12/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate?
methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate has a molecular weight of 289.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1H-imidazole-2-carbonylamino)methyl]-2-methoxybenzoate is sourced from PubChem (CID 67115132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).