1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea

C17H26N4O — CID 2813975

IUPAC1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
SMILESCC1=NCCN1CCNC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N4O/c1-13-18-9-11-21(13)12-10-19-16(22)20-15-7-5-14(6-8-15)17(2,3)4/h5-8H,9-12H2,1-4H3,(H2,19,20,22)
InChIKeyRUTKZPPUJKXOMM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea

1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea (PubChem CID 2813975) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
PubChem CID2813975
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
SMILESCC1=NCCN1CCNC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N4O/c1-13-18-9-11-21(13)12-10-19-16(22)20-15-7-5-14(6-8-15)17(2,3)4/h5-8H,9-12H2,1-4H3,(H2,19,20,22)
InChIKeyRUTKZPPUJKXOMM-UHFFFAOYSA-N
XLogP2.84
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea (CID 2813975) is 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea is CC1=NCCN1CCNC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
The InChIKey is RUTKZPPUJKXOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-18-9-11-21(13)12-10-19-16(22)20-15-7-5-14(6-8-15)17(2,3)4/h5-8H,9-12H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea has a molecular weight of 302.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 2813975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).