1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea

C18H26N4O4 — CID 22577968

IUPAC1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ncc(-c2cccc(OC)c2)n1CCOC
InChIInChI=1S/C18H26N4O4/c1-24-10-5-8-19-18(23)21-17-20-13-16(22(17)9-11-25-2)14-6-4-7-15(12-14)26-3/h4,6-7,12-13H,5,8-11H2,1-3H3,(H2,19,20,21,23)
InChIKeyNQFWUCVUGBSBAC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.36
Rot. Bonds10

About 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea

1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea (PubChem CID 22577968) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea
PubChem CID22577968
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ncc(-c2cccc(OC)c2)n1CCOC
InChIInChI=1S/C18H26N4O4/c1-24-10-5-8-19-18(23)21-17-20-13-16(22(17)9-11-25-2)14-6-4-7-15(12-14)26-3/h4,6-7,12-13H,5,8-11H2,1-3H3,(H2,19,20,21,23)
InChIKeyNQFWUCVUGBSBAC-UHFFFAOYSA-N
XLogP2.36
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea (CID 22577968) is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1ncc(-c2cccc(OC)c2)n1CCOC.
What is the InChIKey of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea?
The InChIKey is NQFWUCVUGBSBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-24-10-5-8-19-18(23)21-17-20-13-16(22(17)9-11-25-2)14-6-4-7-15(12-14)26-3/h4,6-7,12-13H,5,8-11H2,1-3H3,(H2,19,20,21,23).
What are the key properties of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea?
1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea has a molecular weight of 362.43 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 22577968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).