(2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine

C13H13N5 — CID 67327890

IUPAC(2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine
SMILESCC1=N/C(=C2/CC=CC(c3ncc(C)[nH]3)=N2)N=C1
InChIInChI=1S/C13H13N5/c1-8-6-14-12(16-8)10-4-3-5-11(18-10)13-15-7-9(2)17-13/h3-4,6-7H,5H2,1-2H3,(H,14,16)/b13-11-
InChIKeyMNJPVKHBZLBMJH-QBFSEMIESA-N
MW239.28 g/mol
LogP2.18
Rot. Bonds1

About (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine

(2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine (PubChem CID 67327890) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine.

Molecular Properties

Compound Name(2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine
PubChem CID67327890
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name(2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine
SMILESCC1=N/C(=C2/CC=CC(c3ncc(C)[nH]3)=N2)N=C1
InChIInChI=1S/C13H13N5/c1-8-6-14-12(16-8)10-4-3-5-11(18-10)13-15-7-9(2)17-13/h3-4,6-7H,5H2,1-2H3,(H,14,16)/b13-11-
InChIKeyMNJPVKHBZLBMJH-QBFSEMIESA-N
XLogP2.18
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine?
The IUPAC name of (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine (CID 67327890) is (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine.
What is the SMILES notation for (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine?
The canonical SMILES for (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine is CC1=N/C(=C2/CC=CC(c3ncc(C)[nH]3)=N2)N=C1.
What is the InChIKey of (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine?
The InChIKey is MNJPVKHBZLBMJH-QBFSEMIESA-N. The full InChI is InChI=1S/C13H13N5/c1-8-6-14-12(16-8)10-4-3-5-11(18-10)13-15-7-9(2)17-13/h3-4,6-7H,5H2,1-2H3,(H,14,16)/b13-11-.
What are the key properties of (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine?
(2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine has a molecular weight of 239.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-(5-methyl-1H-imidazol-2-yl)-2-(4-methylimidazol-2-ylidene)-3H-pyridine is sourced from PubChem (CID 67327890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).