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

C18H26N4O3 — CID 22577981

IUPAC1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NCC(C)C
InChIInChI=1S/C18H26N4O3/c1-13(2)11-20-18(23)21-17-19-12-16(22(17)8-9-24-3)14-6-5-7-15(10-14)25-4/h5-7,10,12-13H,8-9,11H2,1-4H3,(H2,19,20,21,23)
InChIKeyONYMNOYDYVPPAN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.98
Rot. Bonds8

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

1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea (PubChem CID 22577981) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea
PubChem CID22577981
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NCC(C)C
InChIInChI=1S/C18H26N4O3/c1-13(2)11-20-18(23)21-17-19-12-16(22(17)8-9-24-3)14-6-5-7-15(10-14)25-4/h5-7,10,12-13H,8-9,11H2,1-4H3,(H2,19,20,21,23)
InChIKeyONYMNOYDYVPPAN-UHFFFAOYSA-N
XLogP2.98
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea (CID 22577981) is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea is COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NCC(C)C.
What is the InChIKey of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea?
The InChIKey is ONYMNOYDYVPPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(2)11-20-18(23)21-17-19-12-16(22(17)8-9-24-3)14-6-5-7-15(10-14)25-4/h5-7,10,12-13H,8-9,11H2,1-4H3,(H2,19,20,21,23).
What are the key properties of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea?
1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea has a molecular weight of 346.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 22577981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).