3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine

C15H14N4 — CID 114717514

IUPAC3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCc1cccc(-n2cncc2-c2cnccc2N)c1
InChIInChI=1S/C15H14N4/c1-11-3-2-4-12(7-11)19-10-18-9-15(19)13-8-17-6-5-14(13)16/h2-10H,1H3,(H2,16,17)
InChIKeyBNUFOCSJWAEVQZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds2

About 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine

3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114717514) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114717514
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCc1cccc(-n2cncc2-c2cnccc2N)c1
InChIInChI=1S/C15H14N4/c1-11-3-2-4-12(7-11)19-10-18-9-15(19)13-8-17-6-5-14(13)16/h2-10H,1H3,(H2,16,17)
InChIKeyBNUFOCSJWAEVQZ-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine (CID 114717514) is 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine is Cc1cccc(-n2cncc2-c2cnccc2N)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is BNUFOCSJWAEVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-3-2-4-12(7-11)19-10-18-9-15(19)13-8-17-6-5-14(13)16/h2-10H,1H3,(H2,16,17).
What are the key properties of 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).