2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine

C15H21N3 — CID 82293864

IUPAC2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
SMILESCc1[nH]c(-c2ccc(C(C)C)cc2)nc1CCN
InChIInChI=1S/C15H21N3/c1-10(2)12-4-6-13(7-5-12)15-17-11(3)14(18-15)8-9-16/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyGXWOZSXWAAZZEM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds4

About 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine

2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine (PubChem CID 82293864) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
PubChem CID82293864
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
SMILESCc1[nH]c(-c2ccc(C(C)C)cc2)nc1CCN
InChIInChI=1S/C15H21N3/c1-10(2)12-4-6-13(7-5-12)15-17-11(3)14(18-15)8-9-16/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyGXWOZSXWAAZZEM-UHFFFAOYSA-N
XLogP3.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
CID 82288528
2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine
CID 82289193
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
4-[4-(hydroxymethyl)-5-methyl-1H-imidazol-2-yl]phenol
CID 135671336
4-(2-methoxyethyl)-5-methyl-2-phenyl-1H-imidazole
CID 70591932
3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82300460
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole
CID 70411888
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine (CID 82293864) is 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine is Cc1[nH]c(-c2ccc(C(C)C)cc2)nc1CCN.
What is the InChIKey of 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine?
The InChIKey is GXWOZSXWAAZZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)12-4-6-13(7-5-12)15-17-11(3)14(18-15)8-9-16/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine?
2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine is sourced from PubChem (CID 82293864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).