3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline

C15H14N4 — CID 61176606

IUPAC3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
SMILESCc1ccc(-n2ccnc2-c2cccc(N)c2)nc1
InChIInChI=1S/C15H14N4/c1-11-5-6-14(18-10-11)19-8-7-17-15(19)12-3-2-4-13(16)9-12/h2-10H,16H2,1H3
InChIKeyLCBGFYNCUMUVOI-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds2

About 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline

3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline (PubChem CID 61176606) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
PubChem CID61176606
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
SMILESCc1ccc(-n2ccnc2-c2cccc(N)c2)nc1
InChIInChI=1S/C15H14N4/c1-11-5-6-14(18-10-11)19-8-7-17-15(19)12-3-2-4-13(16)9-12/h2-10H,16H2,1H3
InChIKeyLCBGFYNCUMUVOI-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
The IUPAC name of 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline (CID 61176606) is 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline is Cc1ccc(-n2ccnc2-c2cccc(N)c2)nc1.
What is the InChIKey of 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
The InChIKey is LCBGFYNCUMUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-5-6-14(18-10-11)19-8-7-17-15(19)12-3-2-4-13(16)9-12/h2-10H,16H2,1H3.
What are the key properties of 3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline 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-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline is sourced from PubChem (CID 61176606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).