1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea

C13H16N4O2 — CID 65231458

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-19-12-4-2-10(3-5-12)17-13(18)15-7-6-11-8-14-9-16-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)(H2,15,17,18)
InChIKeyVKRQVMLOXDNANB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.78
Rot. Bonds5

About 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea

1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea (PubChem CID 65231458) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
PubChem CID65231458
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-19-12-4-2-10(3-5-12)17-13(18)15-7-6-11-8-14-9-16-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)(H2,15,17,18)
InChIKeyVKRQVMLOXDNANB-UHFFFAOYSA-N
XLogP1.78
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 65231540
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
1-(4-acetylphenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea
CID 2027364
1-[5-amino-4-(3,4-dimethoxyanilino)-1H-pyrazol-3-yl]-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 10221743
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 122714941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea (CID 65231458) is 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is VKRQVMLOXDNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-12-4-2-10(3-5-12)17-13(18)15-7-6-11-8-14-9-16-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)(H2,15,17,18).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea?
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 260.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 65231458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).