1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea

C19H22N4O2S — CID 71797235

IUPAC1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCc2nc(-c3cccs3)cn2C)cc1
InChIInChI=1S/C19H22N4O2S/c1-23-13-16(17-4-3-11-26-17)22-18(23)9-10-20-19(24)21-12-14-5-7-15(25-2)8-6-14/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,21,24)
InChIKeyHXOLJMMVOMJYIP-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.20
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea

1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea (PubChem CID 71797235) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
PubChem CID71797235
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCc2nc(-c3cccs3)cn2C)cc1
InChIInChI=1S/C19H22N4O2S/c1-23-13-16(17-4-3-11-26-17)22-18(23)9-10-20-19(24)21-12-14-5-7-15(25-2)8-6-14/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,21,24)
InChIKeyHXOLJMMVOMJYIP-UHFFFAOYSA-N
XLogP3.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea (CID 71797235) is 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea is COc1ccc(CNC(=O)NCCc2nc(-c3cccs3)cn2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The InChIKey is HXOLJMMVOMJYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-23-13-16(17-4-3-11-26-17)22-18(23)9-10-20-19(24)21-12-14-5-7-15(25-2)8-6-14/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea has a molecular weight of 370.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 71797235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).