methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate

C19H17N3O3 — CID 47067145

IUPACmethyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C19H17N3O3/c1-25-18(24)16-9-5-8-15(12-16)17(23)21-19-20-10-11-22(19)13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,21,23)
InChIKeyGXHDJLTWYHQEDE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.97
Rot. Bonds5

About methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate

methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate (PubChem CID 47067145) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate
PubChem CID47067145
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C19H17N3O3/c1-25-18(24)16-9-5-8-15(12-16)17(23)21-19-20-10-11-22(19)13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,21,23)
InChIKeyGXHDJLTWYHQEDE-UHFFFAOYSA-N
XLogP2.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate (CID 47067145) is methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2nccn2Cc2ccccc2)c1.
What is the InChIKey of methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate?
The InChIKey is GXHDJLTWYHQEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-18(24)16-9-5-8-15(12-16)17(23)21-19-20-10-11-22(19)13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,21,23).
What are the key properties of methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate?
methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate has a molecular weight of 335.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 47067145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).