1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea

C17H24N4O2 — CID 111505245

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
SMILESCC(C)C(CCO)NC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C17H24N4O2/c1-13(2)15(7-10-22)20-17(23)19-11-14-5-3-4-6-16(14)21-9-8-18-12-21/h3-6,8-9,12-13,15,22H,7,10-11H2,1-2H3,(H2,19,20,23)
InChIKeyGPXKGUJKQSTYFT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.08
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea (PubChem CID 111505245) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
PubChem CID111505245
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
SMILESCC(C)C(CCO)NC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C17H24N4O2/c1-13(2)15(7-10-22)20-17(23)19-11-14-5-3-4-6-16(14)21-9-8-18-12-21/h3-6,8-9,12-13,15,22H,7,10-11H2,1-2H3,(H2,19,20,23)
InChIKeyGPXKGUJKQSTYFT-UHFFFAOYSA-N
XLogP2.08
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 146127243
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111630738
methyl N-[4-[[(2-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86838396
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237202
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea (CID 111505245) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea is CC(C)C(CCO)NC(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is GPXKGUJKQSTYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)15(7-10-22)20-17(23)19-11-14-5-3-4-6-16(14)21-9-8-18-12-21/h3-6,8-9,12-13,15,22H,7,10-11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 111505245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).