N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine

C17H18N4 — CID 91802782

IUPACN-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine
SMILESc1ccc(-c2cccc(NCCCc3ncc[nH]3)n2)cc1
InChIInChI=1S/C17H18N4/c1-2-6-14(7-3-1)15-8-4-9-17(21-15)18-11-5-10-16-19-12-13-20-16/h1-4,6-9,12-13H,5,10-11H2,(H,18,21)(H,19,20)
InChIKeyQHDBGVFIYYHVPW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine

N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine (PubChem CID 91802782) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine
PubChem CID91802782
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine
SMILESc1ccc(-c2cccc(NCCCc3ncc[nH]3)n2)cc1
InChIInChI=1S/C17H18N4/c1-2-6-14(7-3-1)15-8-4-9-17(21-15)18-11-5-10-16-19-12-13-20-16/h1-4,6-9,12-13H,5,10-11H2,(H,18,21)(H,19,20)
InChIKeyQHDBGVFIYYHVPW-UHFFFAOYSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-2-yl)-6-phenylpyridine
CID 76900195
[(6-phenyl-2-pyridinyl)amino]mercury
CID 143075087
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 90871760
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
2-(2-phenylethyl)-1H-imidazole;hydrochloride
CID 67183879
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304
5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
CID 105362857
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 54485111

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine (CID 91802782) is N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine is c1ccc(-c2cccc(NCCCc3ncc[nH]3)n2)cc1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine?
The InChIKey is QHDBGVFIYYHVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-6-14(7-3-1)15-8-4-9-17(21-15)18-11-5-10-16-19-12-13-20-16/h1-4,6-9,12-13H,5,10-11H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine?
N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine is sourced from PubChem (CID 91802782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).