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

C19H28N4O3 — CID 22577978

IUPAC1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NCCC(C)C
InChIInChI=1S/C19H28N4O3/c1-14(2)8-9-20-19(24)22-18-21-13-17(23(18)10-11-25-3)15-6-5-7-16(12-15)26-4/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21,22,24)
InChIKeySSWTWGORDSSLSC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.37
Rot. Bonds9

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

1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea (PubChem CID 22577978) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea
PubChem CID22577978
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NCCC(C)C
InChIInChI=1S/C19H28N4O3/c1-14(2)8-9-20-19(24)22-18-21-13-17(23(18)10-11-25-3)15-6-5-7-16(12-15)26-4/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21,22,24)
InChIKeySSWTWGORDSSLSC-UHFFFAOYSA-N
XLogP3.37
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.37
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-(3-methylbutyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea (CID 22577978) is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea is COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NCCC(C)C.
What is the InChIKey of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea?
The InChIKey is SSWTWGORDSSLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(2)8-9-20-19(24)22-18-21-13-17(23(18)10-11-25-3)15-6-5-7-16(12-15)26-4/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21,22,24).
What are the key properties of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea?
1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-(3-methylbutyl)urea has a molecular weight of 360.46 g/mol, XLogP of 3.37, 9 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-(3-methylbutyl)urea is sourced from PubChem (CID 22577978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).