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

C14H19N3 — CID 82288618

IUPAC[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3/c1-10(2)12-4-6-14(7-5-12)17-9-13(8-15)16-11(17)3/h4-7,9-10H,8,15H2,1-3H3
InChIKeyCIEBMKHUUBUKLF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.76
Rot. Bonds3

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

[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine (PubChem CID 82288618) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine
PubChem CID82288618
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3/c1-10(2)12-4-6-14(7-5-12)17-9-13(8-15)16-11(17)3/h4-7,9-10H,8,15H2,1-3H3
InChIKeyCIEBMKHUUBUKLF-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286824
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine
CID 82294718
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892
[5-methyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
CID 50984737
2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine
CID 82285819
3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
CID 82288832
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
[2-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223422
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
2-(4-propan-2-ylphenyl)isoindol-1-ol
CID 90763500

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine?
The IUPAC name of [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine (CID 82288618) is [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine is Cc1nc(CN)cn1-c1ccc(C(C)C)cc1.
What is the InChIKey of [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine?
The InChIKey is CIEBMKHUUBUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)12-4-6-14(7-5-12)17-9-13(8-15)16-11(17)3/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine?
[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82288618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).