1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea

C14H26N4O2 — CID 91923946

IUPAC1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea
SMILESCOCCn1c(C)cnc1CCNC(=O)NCC(C)C
InChIInChI=1S/C14H26N4O2/c1-11(2)9-17-14(19)15-6-5-13-16-10-12(3)18(13)7-8-20-4/h10-11H,5-9H2,1-4H3,(H2,15,17,19)
InChIKeyBOXXDZVYWMDRAK-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.34
Rot. Bonds8

About 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea

1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea (PubChem CID 91923946) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea
PubChem CID91923946
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea
SMILESCOCCn1c(C)cnc1CCNC(=O)NCC(C)C
InChIInChI=1S/C14H26N4O2/c1-11(2)9-17-14(19)15-6-5-13-16-10-12(3)18(13)7-8-20-4/h10-11H,5-9H2,1-4H3,(H2,15,17,19)
InChIKeyBOXXDZVYWMDRAK-UHFFFAOYSA-N
XLogP1.34
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea (CID 91923946) is 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea is COCCn1c(C)cnc1CCNC(=O)NCC(C)C.
What is the InChIKey of 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea?
The InChIKey is BOXXDZVYWMDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)9-17-14(19)15-6-5-13-16-10-12(3)18(13)7-8-20-4/h10-11H,5-9H2,1-4H3,(H2,15,17,19).
What are the key properties of 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea?
1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea has a molecular weight of 282.39 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 91923946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).