3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine

C16H23N3 — CID 116876927

IUPAC3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1ccc(C(C)C)cc1-c1cnc(CCCN)[nH]1
InChIInChI=1S/C16H23N3/c1-11(2)13-7-6-12(3)14(9-13)15-10-18-16(19-15)5-4-8-17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyBBXPPJFBLPKJQT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.40
Rot. Bonds5

About 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876927) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876927
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1ccc(C(C)C)cc1-c1cnc(CCCN)[nH]1
InChIInChI=1S/C16H23N3/c1-11(2)13-7-6-12(3)14(9-13)15-10-18-16(19-15)5-4-8-17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyBBXPPJFBLPKJQT-UHFFFAOYSA-N
XLogP3.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879331
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880178
1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880813
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882117
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876929
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879349
5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
CID 163518861

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine (CID 116876927) is 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine is Cc1ccc(C(C)C)cc1-c1cnc(CCCN)[nH]1.
What is the InChIKey of 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is BBXPPJFBLPKJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)13-7-6-12(3)14(9-13)15-10-18-16(19-15)5-4-8-17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19).
What are the key properties of 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).