1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea

C13H18N4OS — CID 47220679

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCCc1cccs1
InChIInChI=1S/C13H18N4OS/c1-11(9-17-7-6-14-10-17)16-13(18)15-5-4-12-3-2-8-19-12/h2-3,6-8,10-11H,4-5,9H2,1H3,(H2,15,16,18)
InChIKeyURWHZJXDPPCKHJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.88
Rot. Bonds6

About 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea

1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 47220679) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID47220679
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCCc1cccs1
InChIInChI=1S/C13H18N4OS/c1-11(9-17-7-6-14-10-17)16-13(18)15-5-4-12-3-2-8-19-12/h2-3,6-8,10-11H,4-5,9H2,1H3,(H2,15,16,18)
InChIKeyURWHZJXDPPCKHJ-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)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

N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 45829758
N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46984947
N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 47240716
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 47253559
1-[2-(Pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083635
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 51083644
N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 51084841

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea (CID 47220679) is 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea is CC(Cn1ccnc1)NC(=O)NCCc1cccs1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is URWHZJXDPPCKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-11(9-17-7-6-14-10-17)16-13(18)15-5-4-12-3-2-8-19-12/h2-3,6-8,10-11H,4-5,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea?
1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 278.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47220679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).