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

C15H21N5O — CID 65231540

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H21N5O/c1-11(16-2)12-3-5-13(6-4-12)20-15(21)18-8-7-14-9-17-10-19-14/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)
InChIKeyLOPSPARVZGRHJD-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds6

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

1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 65231540) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
PubChem CID65231540
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H21N5O/c1-11(16-2)12-3-5-13(6-4-12)20-15(21)18-8-7-14-9-17-10-19-14/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)
InChIKeyLOPSPARVZGRHJD-UHFFFAOYSA-N
XLogP2.05
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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-methoxyphenyl)urea
CID 65231458
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-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497
5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 82849089
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 72862193
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 118789686
2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea (CID 65231540) is 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1ccc(NC(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is LOPSPARVZGRHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(16-2)12-3-5-13(6-4-12)20-15(21)18-8-7-14-9-17-10-19-14/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,19)(H2,18,20,21).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea?
1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 4 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-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 65231540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).