1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea

C17H24N4O — CID 74234942

IUPAC1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESCCC(C)c1ccc(NC(=O)NCCCc2ncc[nH]2)cc1
InChIInChI=1S/C17H24N4O/c1-3-13(2)14-6-8-15(9-7-14)21-17(22)20-10-4-5-16-18-11-12-19-16/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)(H2,20,21,22)
InChIKeyWKRCFGFTPZKTKY-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.68
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea

1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea (PubChem CID 74234942) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
PubChem CID74234942
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESCCC(C)c1ccc(NC(=O)NCCCc2ncc[nH]2)cc1
InChIInChI=1S/C17H24N4O/c1-3-13(2)14-6-8-15(9-7-14)21-17(22)20-10-4-5-16-18-11-12-19-16/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)(H2,20,21,22)
InChIKeyWKRCFGFTPZKTKY-UHFFFAOYSA-N
XLogP3.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 87708424
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118780034
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 106312735
1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118773109
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 116657997
1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6469065
1-(4-butan-2-ylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 11149383
1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 11736822
1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea
CID 126739196
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea (CID 74234942) is 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea is CCC(C)c1ccc(NC(=O)NCCCc2ncc[nH]2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
The InChIKey is WKRCFGFTPZKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-13(2)14-6-8-15(9-7-14)21-17(22)20-10-4-5-16-18-11-12-19-16/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)(H2,20,21,22).
What are the key properties of 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea?
1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea has a molecular weight of 300.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 74234942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).