1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea

C14H18N4O2 — CID 2716919

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(C)c(NC(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-12(20-2)7-13(10)18-14(19)16-6-5-11-8-15-9-17-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,17)(H2,16,18,19)
InChIKeyYXSLQPVSUMNXET-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea

1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea (PubChem CID 2716919) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea
PubChem CID2716919
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(C)c(NC(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-12(20-2)7-13(10)18-14(19)16-6-5-11-8-15-9-17-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,17)(H2,16,18,19)
InChIKeyYXSLQPVSUMNXET-UHFFFAOYSA-N
XLogP2.09
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
CID 2914863
(4-tert-Butyl-3-methoxy-2,6-dimethyl-phenyl)-(1H-imidazol-2-yl)-amine
CID 9795515
1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-methoxy-phenyl)-urea
CID 9819139
(1H-Imidazol-2-yl)-(4-methoxy-2-methyl-phenyl)-amine
CID 10198135
1-(2-Dimethylamino-6-{3-[4-(4-methoxy-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10412851
1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 10475883
4-(4-Methoxyphenyl)-12-methyl-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 22415293
4-(1H-Imidazol-4-ylmethyl)-N-(4-methoxy-benzyl)-benzamidine
CID 23368254
N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline
CID 24947139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea (CID 2716919) is 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea is COc1ccc(C)c(NC(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea?
The InChIKey is YXSLQPVSUMNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-4-12(20-2)7-13(10)18-14(19)16-6-5-11-8-15-9-17-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,17)(H2,16,18,19).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea?
1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea has a molecular weight of 274.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(5-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 2716919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).