1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea

C14H20N4OS — CID 108729375

IUPAC1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C14H20N4OS/c1-3-18(4-2)14(19)15-8-7-11-13(17-10-16-11)12-6-5-9-20-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyKMYFQQJPTUJLRX-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.73
Rot. Bonds6

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

1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea (PubChem CID 108729375) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
PubChem CID108729375
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C14H20N4OS/c1-3-18(4-2)14(19)15-8-7-11-13(17-10-16-11)12-6-5-9-20-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyKMYFQQJPTUJLRX-UHFFFAOYSA-N
XLogP2.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea (CID 108729375) is 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea is CCN(CC)C(=O)NCCc1[nH]cnc1-c1cccs1.
What is the InChIKey of 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea?
The InChIKey is KMYFQQJPTUJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-18(4-2)14(19)15-8-7-11-13(17-10-16-11)12-6-5-9-20-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea?
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea has a molecular weight of 292.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 108729375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).