3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine

C17H16N4 — CID 142291210

IUPAC3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C#Cc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C17H16N4/c1-12-8-9-19-16(18)15(12)7-4-13-2-5-14(6-3-13)17-20-10-11-21-17/h2-3,5-6,8-9H,10-11H2,1H3,(H2,18,19)(H,20,21)
InChIKeyVZJKWOIVSCNMGI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds1

About 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine

3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine (PubChem CID 142291210) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine
PubChem CID142291210
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C#Cc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C17H16N4/c1-12-8-9-19-16(18)15(12)7-4-13-2-5-14(6-3-13)17-20-10-11-21-17/h2-3,5-6,8-9H,10-11H2,1H3,(H2,18,19)(H,20,21)
InChIKeyVZJKWOIVSCNMGI-UHFFFAOYSA-N
XLogP1.72
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-1H-pyrrolo[2,3-c]pyridin-5-amine;methanethiol
CID 157183778
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 126982323
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]pyridine
CID 139983426
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine
CID 142291206
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82239981
4-[2-[4-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)phenyl]ethynyl]-8-methylisoquinolin-3-amine
CID 158082898
4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine
CID 129262520

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine (CID 142291210) is 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine is Cc1ccnc(N)c1C#Cc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine?
The InChIKey is VZJKWOIVSCNMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-8-9-19-16(18)15(12)7-4-13-2-5-14(6-3-13)17-20-10-11-21-17/h2-3,5-6,8-9H,10-11H2,1H3,(H2,18,19)(H,20,21).
What are the key properties of 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine?
3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 142291210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).