1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine

C14H12N6 — CID 137270215

IUPAC1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2cnc[nH]2)cc1)\c1cnc[nH]1
InChIInChI=1S/C14H12N6/c1-2-12(18-8-14-6-16-10-20-14)4-3-11(1)17-7-13-5-15-9-19-13/h1-10H,(H,15,19)(H,16,20)/b17-7+,18-8+
InChIKeySIKGIHRCGHMQBE-ZEELXFFVSA-N
MW264.29 g/mol
LogP2.63
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine

1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine (PubChem CID 137270215) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
PubChem CID137270215
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2cnc[nH]2)cc1)\c1cnc[nH]1
InChIInChI=1S/C14H12N6/c1-2-12(18-8-14-6-16-10-20-14)4-3-11(1)17-7-13-5-15-9-19-13/h1-10H,(H,15,19)(H,16,20)/b17-7+,18-8+
InChIKeySIKGIHRCGHMQBE-ZEELXFFVSA-N
XLogP2.63
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine (CID 137270215) is 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine is C(=N/c1ccc(/N=C/c2cnc[nH]2)cc1)\c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine?
The InChIKey is SIKGIHRCGHMQBE-ZEELXFFVSA-N. The full InChI is InChI=1S/C14H12N6/c1-2-12(18-8-14-6-16-10-20-14)4-3-11(1)17-7-13-5-15-9-19-13/h1-10H,(H,15,19)(H,16,20)/b17-7+,18-8+.
What are the key properties of 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine?
1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine has a molecular weight of 264.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine is sourced from PubChem (CID 137270215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).