[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine

C15H14N4 — CID 116877877

IUPAC[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ncc(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C15H14N4/c16-9-11-1-3-13(4-2-11)15-18-10-14(19-15)12-5-7-17-8-6-12/h1-8,10H,9,16H2,(H,18,19)
InChIKeyFPKNKRONEZLYFO-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.60
Rot. Bonds3

About [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine

[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine (PubChem CID 116877877) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine
PubChem CID116877877
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ncc(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C15H14N4/c16-9-11-1-3-13(4-2-11)15-18-10-14(19-15)12-5-7-17-8-6-12/h1-8,10H,9,16H2,(H,18,19)
InChIKeyFPKNKRONEZLYFO-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine (CID 116877877) is [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine is NCc1ccc(-c2ncc(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine?
The InChIKey is FPKNKRONEZLYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-11-1-3-13(4-2-11)15-18-10-14(19-15)12-5-7-17-8-6-12/h1-8,10H,9,16H2,(H,18,19).
What are the key properties of [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine?
[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine has a molecular weight of 250.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 116877877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).