N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

C15H19N5 — CID 110984740

IUPACN-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CCc2ccccc21
InChIInChI=1S/C15H19N5/c1-16-15(18-8-11-19-10-7-17-12-19)20-9-6-13-4-2-3-5-14(13)20/h2-5,7,10,12H,6,8-9,11H2,1H3,(H,16,18)
InChIKeyXJGGUVRQZHFYSL-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.52
Rot. Bonds3

About N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984740) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984740
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CCc2ccccc21
InChIInChI=1S/C15H19N5/c1-16-15(18-8-11-19-10-7-17-12-19)20-9-6-13-4-2-3-5-14(13)20/h2-5,7,10,12H,6,8-9,11H2,1H3,(H,16,18)
InChIKeyXJGGUVRQZHFYSL-UHFFFAOYSA-N
XLogP1.52
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
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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Related Compounds

N-(2-imidazol-1-ylethyl)-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947319
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 119131238
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983754
N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116501
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
3-benzyl-N-(2-imidazol-1-ylethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725162

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110984740) is N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCCn1ccnc1)N1CCc2ccccc21.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is XJGGUVRQZHFYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-16-15(18-8-11-19-10-7-17-12-19)20-9-6-13-4-2-3-5-14(13)20/h2-5,7,10,12H,6,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).