1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine

C14H18N6 — CID 136812088

IUPAC1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/[C@H]1CCCC[C@@H]1/N=C/c1cnc[nH]1)\c1cnc[nH]1
InChIInChI=1S/C14H18N6/c1-2-4-14(18-8-12-6-16-10-20-12)13(3-1)17-7-11-5-15-9-19-11/h5-10,13-14H,1-4H2,(H,15,19)(H,16,20)/b17-7+,18-8+/t13-,14-/m0/s1
InChIKeyHMDYYJWKECQHIH-ZFLJGTLKSA-N
MW270.34 g/mol
LogP1.98
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine

1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine (PubChem CID 136812088) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine
PubChem CID136812088
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/[C@H]1CCCC[C@@H]1/N=C/c1cnc[nH]1)\c1cnc[nH]1
InChIInChI=1S/C14H18N6/c1-2-4-14(18-8-12-6-16-10-20-12)13(3-1)17-7-11-5-15-9-19-11/h5-10,13-14H,1-4H2,(H,15,19)(H,16,20)/b17-7+,18-8+/t13-,14-/m0/s1
InChIKeyHMDYYJWKECQHIH-ZFLJGTLKSA-N
XLogP1.98
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.98
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-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine (CID 136812088) is 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine is C(=N/[C@H]1CCCC[C@@H]1/N=C/c1cnc[nH]1)\c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine?
The InChIKey is HMDYYJWKECQHIH-ZFLJGTLKSA-N. The full InChI is InChI=1S/C14H18N6/c1-2-4-14(18-8-12-6-16-10-20-12)13(3-1)17-7-11-5-15-9-19-11/h5-10,13-14H,1-4H2,(H,15,19)(H,16,20)/b17-7+,18-8+/t13-,14-/m0/s1.
What are the key properties of 1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine?
1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine has a molecular weight of 270.34 g/mol, XLogP of 1.98, 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-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine is sourced from PubChem (CID 136812088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).