propyl 4-(1H-imidazole-5-carbonylamino)benzoate

C14H15N3O3 — CID 63929483

IUPACpropyl 4-(1H-imidazole-5-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-2-7-20-14(19)10-3-5-11(6-4-10)17-13(18)12-8-15-9-16-12/h3-6,8-9H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyGTTUAADVBGFQIU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.23
Rot. Bonds5

About propyl 4-(1H-imidazole-5-carbonylamino)benzoate

propyl 4-(1H-imidazole-5-carbonylamino)benzoate (PubChem CID 63929483) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is propyl 4-(1H-imidazole-5-carbonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(1H-imidazole-5-carbonylamino)benzoate
PubChem CID63929483
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namepropyl 4-(1H-imidazole-5-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-2-7-20-14(19)10-3-5-11(6-4-10)17-13(18)12-8-15-9-16-12/h3-6,8-9H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyGTTUAADVBGFQIU-UHFFFAOYSA-N
XLogP2.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
N-(4-octylphenyl)-1H-imidazole-5-carboxamide
CID 177471524
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
CID 18195951
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329

Frequently Asked Questions

What is the IUPAC name of propyl 4-(1H-imidazole-5-carbonylamino)benzoate?
The IUPAC name of propyl 4-(1H-imidazole-5-carbonylamino)benzoate (CID 63929483) is propyl 4-(1H-imidazole-5-carbonylamino)benzoate.
What is the SMILES notation for propyl 4-(1H-imidazole-5-carbonylamino)benzoate?
The canonical SMILES for propyl 4-(1H-imidazole-5-carbonylamino)benzoate is CCCOC(=O)c1ccc(NC(=O)c2cnc[nH]2)cc1.
What is the InChIKey of propyl 4-(1H-imidazole-5-carbonylamino)benzoate?
The InChIKey is GTTUAADVBGFQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-7-20-14(19)10-3-5-11(6-4-10)17-13(18)12-8-15-9-16-12/h3-6,8-9H,2,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of propyl 4-(1H-imidazole-5-carbonylamino)benzoate?
propyl 4-(1H-imidazole-5-carbonylamino)benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1H-imidazole-5-carbonylamino)benzoate is sourced from PubChem (CID 63929483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).