N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide

C15H22N4 — CID 146244019

IUPACN-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C/CC(C)(C)n1cnc2c1=CCCC=2
InChIInChI=1S/C15H22N4/c1-12(16-4)17-10-9-15(2,3)19-11-18-13-7-5-6-8-14(13)19/h7-8,10-11H,5-6,9H2,1-4H3/b16-12+,17-10+
InChIKeyFIMMSSXETPOXGU-VMHPKHSQSA-N
MW258.37 g/mol
LogP1.48
Rot. Bonds3

About N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide

N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide (PubChem CID 146244019) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide
PubChem CID146244019
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C/CC(C)(C)n1cnc2c1=CCCC=2
InChIInChI=1S/C15H22N4/c1-12(16-4)17-10-9-15(2,3)19-11-18-13-7-5-6-8-14(13)19/h7-8,10-11H,5-6,9H2,1-4H3/b16-12+,17-10+
InChIKeyFIMMSSXETPOXGU-VMHPKHSQSA-N
XLogP1.48
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide?
The IUPAC name of N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide (CID 146244019) is N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide is C/N=C(C)/N=C/CC(C)(C)n1cnc2c1=CCCC=2.
What is the InChIKey of N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide?
The InChIKey is FIMMSSXETPOXGU-VMHPKHSQSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(16-4)17-10-9-15(2,3)19-11-18-13-7-5-6-8-14(13)19/h7-8,10-11H,5-6,9H2,1-4H3/b16-12+,17-10+.
What are the key properties of N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide?
N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide has a molecular weight of 258.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydrobenzimidazol-1-yl)-3-methylbutylidene]-N'-methylethanimidamide is sourced from PubChem (CID 146244019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).