3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea

C15H22N4OS — CID 122568134

IUPAC3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea
SMILESCC(C)CN(Cc1ccsc1)C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C15H22N4OS/c1-12(2)9-19(10-13-4-8-21-11-13)15(20)18-5-3-14-16-6-7-17-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyOLHUMAXGQDUKMY-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.88
Rot. Bonds7

About 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea

3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 122568134) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea
PubChem CID122568134
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea
SMILESCC(C)CN(Cc1ccsc1)C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C15H22N4OS/c1-12(2)9-19(10-13-4-8-21-11-13)15(20)18-5-3-14-16-6-7-17-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyOLHUMAXGQDUKMY-UHFFFAOYSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea (CID 122568134) is 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea is CC(C)CN(Cc1ccsc1)C(=O)NCCc1ncc[nH]1.
What is the InChIKey of 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is OLHUMAXGQDUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12(2)9-19(10-13-4-8-21-11-13)15(20)18-5-3-14-16-6-7-17-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea?
3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 306.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-2-yl)ethyl]-1-(2-methylpropyl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 122568134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).