1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea

C18H26N4O2 — CID 111503946

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(C)(C)CCO)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(21-17(24)20-12-18(2,3)8-11-23)15-4-6-16(7-5-15)22-10-9-19-13-22/h4-7,9-10,13-14,23H,8,11-12H2,1-3H3,(H2,20,21,24)
InChIKeyRGQWUHOORUJLFR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.64
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea (PubChem CID 111503946) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
PubChem CID111503946
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(C)(C)CCO)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(21-17(24)20-12-18(2,3)8-11-23)15-4-6-16(7-5-15)22-10-9-19-13-22/h4-7,9-10,13-14,23H,8,11-12H2,1-3H3,(H2,20,21,24)
InChIKeyRGQWUHOORUJLFR-UHFFFAOYSA-N
XLogP2.64
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111509387
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 86818464
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 167917772

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea (CID 111503946) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea is CC(NC(=O)NCC(C)(C)CCO)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea?
The InChIKey is RGQWUHOORUJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(21-17(24)20-12-18(2,3)8-11-23)15-4-6-16(7-5-15)22-10-9-19-13-22/h4-7,9-10,13-14,23H,8,11-12H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 111503946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).