1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine

C16H16N6 — CID 137147559

IUPAC1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine
SMILESC(=N/Cc1cccc(C/N=C/c2cnc[nH]2)c1)\c1cnc[nH]1
InChIInChI=1S/C16H16N6/c1-2-13(5-17-7-15-9-19-11-21-15)4-14(3-1)6-18-8-16-10-20-12-22-16/h1-4,7-12H,5-6H2,(H,19,21)(H,20,22)/b17-7+,18-8+
InChIKeyQYRLKDAPVMHNIK-ZEELXFFVSA-N
MW292.35 g/mol
LogP2.37
Rot. Bonds6

About 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine

1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine (PubChem CID 137147559) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine
PubChem CID137147559
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine
SMILESC(=N/Cc1cccc(C/N=C/c2cnc[nH]2)c1)\c1cnc[nH]1
InChIInChI=1S/C16H16N6/c1-2-13(5-17-7-15-9-19-11-21-15)4-14(3-1)6-18-8-16-10-20-12-22-16/h1-4,7-12H,5-6H2,(H,19,21)(H,20,22)/b17-7+,18-8+
InChIKeyQYRLKDAPVMHNIK-ZEELXFFVSA-N
XLogP2.37
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.37
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-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine (CID 137147559) is 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine is C(=N/Cc1cccc(C/N=C/c2cnc[nH]2)c1)\c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine?
The InChIKey is QYRLKDAPVMHNIK-ZEELXFFVSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-13(5-17-7-15-9-19-11-21-15)4-14(3-1)6-18-8-16-10-20-12-22-16/h1-4,7-12H,5-6H2,(H,19,21)(H,20,22)/b17-7+,18-8+.
What are the key properties of 1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine?
1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine has a molecular weight of 292.35 g/mol, XLogP of 2.37, 6 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-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine is sourced from PubChem (CID 137147559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).