1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea

C10H12N4OS — CID 75389671

IUPAC1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCc2ncc[nH]2)s1
InChIInChI=1S/C10H12N4OS/c1-7-2-3-9(16-7)14-10(15)13-6-8-11-4-5-12-8/h2-5H,6H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyUBDLRJAHJYUUQA-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.10
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea

1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea (PubChem CID 75389671) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
PubChem CID75389671
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCc2ncc[nH]2)s1
InChIInChI=1S/C10H12N4OS/c1-7-2-3-9(16-7)14-10(15)13-6-8-11-4-5-12-8/h2-5H,6H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyUBDLRJAHJYUUQA-UHFFFAOYSA-N
XLogP2.10
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea (CID 75389671) is 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea is Cc1ccc(NC(=O)NCc2ncc[nH]2)s1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea?
The InChIKey is UBDLRJAHJYUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-2-3-9(16-7)14-10(15)13-6-8-11-4-5-12-8/h2-5H,6H2,1H3,(H,11,12)(H2,13,14,15).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea?
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea has a molecular weight of 236.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 75389671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).