(E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine

C16H17N5 — CID 13436342

IUPAC(E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine
SMILESC/C(=N\N=c1n(C)c2ccccc2n1C)c1ccccn1
InChIInChI=1S/C16H17N5/c1-12(13-8-6-7-11-17-13)18-19-16-20(2)14-9-4-5-10-15(14)21(16)3/h4-11H,1-3H3/b18-12+
InChIKeyLPUYBJCJUPKKAX-LDADJPATSA-N
MW279.35 g/mol
LogP2.24
Rot. Bonds2

About (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine

(E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine (PubChem CID 13436342) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine.

Molecular Properties

Compound Name(E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine
PubChem CID13436342
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name(E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine
SMILESC/C(=N\N=c1n(C)c2ccccc2n1C)c1ccccn1
InChIInChI=1S/C16H17N5/c1-12(13-8-6-7-11-17-13)18-19-16-20(2)14-9-4-5-10-15(14)21(16)3/h4-11H,1-3H3/b18-12+
InChIKeyLPUYBJCJUPKKAX-LDADJPATSA-N
XLogP2.24
TPSA47.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 152756166
CID 152756166
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
(Z)-N-(1-methylbenzimidazol-2-yl)oxy-1-pyridin-2-ylethanimine
CID 131997890
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
zinc bis((E)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-3-id-2-imine)
CID 140829847
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412
1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
N-butyl-1-pyridin-2-ylethanimine
CID 583773
CID 172927637
CID 172927637

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine?
The IUPAC name of (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine (CID 13436342) is (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine.
What is the SMILES notation for (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine?
The canonical SMILES for (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine is C/C(=N\N=c1n(C)c2ccccc2n1C)c1ccccn1.
What is the InChIKey of (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine?
The InChIKey is LPUYBJCJUPKKAX-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N5/c1-12(13-8-6-7-11-17-13)18-19-16-20(2)14-9-4-5-10-15(14)21(16)3/h4-11H,1-3H3/b18-12+.
What are the key properties of (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine?
(E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine has a molecular weight of 279.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-imine is sourced from PubChem (CID 13436342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).