1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine

C16H23N3 — CID 106721205

IUPAC1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H23N3/c1-12(2)15-6-4-14(5-7-15)9-19-10-16(18-11-19)8-13(3)17/h4-7,10-13H,8-9,17H2,1-3H3
InChIKeyJYKHSXPYDFLLEC-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.94
Rot. Bonds5

About 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine

1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721205) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID106721205
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C16H23N3/c1-12(2)15-6-4-14(5-7-15)9-19-10-16(18-11-19)8-13(3)17/h4-7,10-13H,8-9,17H2,1-3H3
InChIKeyJYKHSXPYDFLLEC-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
CID 81340177
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
CID 106721101
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66410364
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine (CID 106721205) is 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(Cc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is JYKHSXPYDFLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)15-6-4-14(5-7-15)9-19-10-16(18-11-19)8-13(3)17/h4-7,10-13H,8-9,17H2,1-3H3.
What are the key properties of 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine?
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).