1-pentyl-4-pyridin-3-ylimidazol-2-amine

C13H18N4 — CID 162675846

IUPAC1-pentyl-4-pyridin-3-ylimidazol-2-amine
SMILESCCCCCn1cc(-c2cccnc2)nc1N
InChIInChI=1S/C13H18N4/c1-2-3-4-8-17-10-12(16-13(17)14)11-6-5-7-15-9-11/h5-7,9-10H,2-4,8H2,1H3,(H2,14,16)
InChIKeyGXJVQZABBUKCDZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.72
Rot. Bonds5

About 1-pentyl-4-pyridin-3-ylimidazol-2-amine

1-pentyl-4-pyridin-3-ylimidazol-2-amine (PubChem CID 162675846) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-pentyl-4-pyridin-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-pentyl-4-pyridin-3-ylimidazol-2-amine
PubChem CID162675846
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-pentyl-4-pyridin-3-ylimidazol-2-amine
SMILESCCCCCn1cc(-c2cccnc2)nc1N
InChIInChI=1S/C13H18N4/c1-2-3-4-8-17-10-12(16-13(17)14)11-6-5-7-15-9-11/h5-7,9-10H,2-4,8H2,1H3,(H2,14,16)
InChIKeyGXJVQZABBUKCDZ-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride
CID 162674520
4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162674197
4-(4-fluorophenyl)-1-pentylimidazol-2-amine
CID 162669680
2-(2-amino-1-pentylimidazol-4-yl)phenol
CID 162673769
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
3-(3-butylimidazol-4-yl)pyridine
CID 174388983
3-(1-butylimidazol-4-yl)pyridine
CID 58668046
4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162675687
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
CID 162666154
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-pyridin-3-ylimidazol-2-amine?
The IUPAC name of 1-pentyl-4-pyridin-3-ylimidazol-2-amine (CID 162675846) is 1-pentyl-4-pyridin-3-ylimidazol-2-amine.
What is the SMILES notation for 1-pentyl-4-pyridin-3-ylimidazol-2-amine?
The canonical SMILES for 1-pentyl-4-pyridin-3-ylimidazol-2-amine is CCCCCn1cc(-c2cccnc2)nc1N.
What is the InChIKey of 1-pentyl-4-pyridin-3-ylimidazol-2-amine?
The InChIKey is GXJVQZABBUKCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-3-4-8-17-10-12(16-13(17)14)11-6-5-7-15-9-11/h5-7,9-10H,2-4,8H2,1H3,(H2,14,16).
What are the key properties of 1-pentyl-4-pyridin-3-ylimidazol-2-amine?
1-pentyl-4-pyridin-3-ylimidazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-pyridin-3-ylimidazol-2-amine is sourced from PubChem (CID 162675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).