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

C14H19N3 — CID 82288528

IUPAC[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(-c2ccc(C(C)C)cc2)nc1CN
InChIInChI=1S/C14H19N3/c1-9(2)11-4-6-12(7-5-11)14-16-10(3)13(8-15)17-14/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyBIIIKUBFAQENTC-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds3

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

[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine (PubChem CID 82288528) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
PubChem CID82288528
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(-c2ccc(C(C)C)cc2)nc1CN
InChIInChI=1S/C14H19N3/c1-9(2)11-4-6-12(7-5-11)14-16-10(3)13(8-15)17-14/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyBIIIKUBFAQENTC-UHFFFAOYSA-N
XLogP2.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
CID 82293864
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204
[2-(2-chloro-6-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82292580
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
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
[2-(3-chloro-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methanol;hydrochloride
CID 22563322
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole
CID 19419957
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine?
The IUPAC name of [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine (CID 82288528) is [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine is Cc1[nH]c(-c2ccc(C(C)C)cc2)nc1CN.
What is the InChIKey of [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine?
The InChIKey is BIIIKUBFAQENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(2)11-4-6-12(7-5-11)14-16-10(3)13(8-15)17-14/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine?
[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 82288528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).