4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride

C15H16ClN3 — CID 47002856

IUPAC4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C15H15N3.ClH/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)18;/h1-8H,9-10H2,(H3,16,17);1H
InChIKeyABINXTOECHWQJO-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.09
Rot. Bonds2

About 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride

4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride (PubChem CID 47002856) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride
PubChem CID47002856
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C15H15N3.ClH/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)18;/h1-8H,9-10H2,(H3,16,17);1H
InChIKeyABINXTOECHWQJO-UHFFFAOYSA-N
XLogP3.09
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

6-(2,3-dihydroindol-1-yl)pyridine-3-carboximidamide
CID 24698172
6-(2,3-dihydroindol-1-yl)pyridine-2-carboximidamide
CID 64595927
2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzenecarboximidamide
CID 81268399
2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
CID 55234312
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenecarboximidamide
CID 24699878
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353
benzenecarboximidamide;sulfane
CID 172701796
N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline
CID 59230174
4-(2,3-dihydroindol-1-yl)-3-fluorobenzenecarbothioamide
CID 43657805
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride (CID 47002856) is 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride?
The InChIKey is ABINXTOECHWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.ClH/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)18;/h1-8H,9-10H2,(H3,16,17);1H.
What are the key properties of 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride?
4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 47002856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).