3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine

C16H21N5 — CID 23731008

IUPAC3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine
SMILES[H]/N=C(/c1ncn(-c2ccc(C)cc2)c1N)N1CCCCC1
InChIInChI=1S/C16H21N5/c1-12-5-7-13(8-6-12)21-11-19-14(16(21)18)15(17)20-9-3-2-4-10-20/h5-8,11,17H,2-4,9-10,18H2,1H3/b17-15-
InChIKeyWIGIAKAGUJUEIM-ICFOKQHNSA-N
MW283.38 g/mol
LogP2.57
Rot. Bonds2

About 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine

3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine (PubChem CID 23731008) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine
PubChem CID23731008
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine
SMILES[H]/N=C(/c1ncn(-c2ccc(C)cc2)c1N)N1CCCCC1
InChIInChI=1S/C16H21N5/c1-12-5-7-13(8-6-12)21-11-19-14(16(21)18)15(17)20-9-3-2-4-10-20/h5-8,11,17H,2-4,9-10,18H2,1H3/b17-15-
InChIKeyWIGIAKAGUJUEIM-ICFOKQHNSA-N
XLogP2.57
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2-pyridinyl)-piperidin-1-ylmethanimine
CID 63555114
(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
CID 65198115
5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
CID 14959004
[5-amino-1-(4-methylphenyl)triazol-4-yl]-pyrrolidin-1-ylmethanethione
CID 154824370
5-(piperidine-1-carboximidoyl)-1H-imidazol-4-amine
CID 135745792
ethane;N-[1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]methanesulfonamide;(4-methylphenyl)-pyrrolidin-1-ylmethanimine;(NZ)-N-[(4-methylphenyl)-pyrrolidin-1-ylmethylidene]methanesulfonamide;1,4-xylene
CID 143028492
(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine
CID 91292746
piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine
CID 135965159
(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
CID 130835239
[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 46287520
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine?
The IUPAC name of 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine (CID 23731008) is 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine.
What is the SMILES notation for 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine?
The canonical SMILES for 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine is [H]/N=C(/c1ncn(-c2ccc(C)cc2)c1N)N1CCCCC1.
What is the InChIKey of 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine?
The InChIKey is WIGIAKAGUJUEIM-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-5-7-13(8-6-12)21-11-19-14(16(21)18)15(17)20-9-3-2-4-10-20/h5-8,11,17H,2-4,9-10,18H2,1H3/b17-15-.
What are the key properties of 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine?
3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine is sourced from PubChem (CID 23731008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).