[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid

C15H19N3O3 — CID 69232749

IUPAC[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NC(=O)O
InChIInChI=1S/C15H19N3O3/c1-15(2,17-14(20)21)7-8-18-9-13(16-10-18)11-3-5-12(19)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyLEQMOADAXNFWHB-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.69
Rot. Bonds5

About [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid

[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid (PubChem CID 69232749) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid
PubChem CID69232749
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NC(=O)O
InChIInChI=1S/C15H19N3O3/c1-15(2,17-14(20)21)7-8-18-9-13(16-10-18)11-3-5-12(19)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyLEQMOADAXNFWHB-UHFFFAOYSA-N
XLogP2.69
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid (CID 69232749) is [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid is CC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NC(=O)O.
What is the InChIKey of [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid?
The InChIKey is LEQMOADAXNFWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,17-14(20)21)7-8-18-9-13(16-10-18)11-3-5-12(19)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21).
What are the key properties of [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid?
[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid has a molecular weight of 289.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 69232749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).