2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide

C22H21N5 — CID 175393379

IUPAC2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide
SMILES[H]/N=C(\N)c1cc2c(c(/C(N)=N/[H])c1)CC(c1ccccc1)(c1ccccc1)N2
InChIInChI=1S/C22H21N5/c23-20(24)14-11-17(21(25)26)18-13-22(27-19(18)12-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,27H,13H2,(H3,23,24)(H3,25,26)
InChIKeyVCXSCSPIVVLHEH-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.17
Rot. Bonds4

About 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide

2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide (PubChem CID 175393379) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide.

Molecular Properties

Compound Name2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide
PubChem CID175393379
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide
SMILES[H]/N=C(\N)c1cc2c(c(/C(N)=N/[H])c1)CC(c1ccccc1)(c1ccccc1)N2
InChIInChI=1S/C22H21N5/c23-20(24)14-11-17(21(25)26)18-13-22(27-19(18)12-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,27H,13H2,(H3,23,24)(H3,25,26)
InChIKeyVCXSCSPIVVLHEH-UHFFFAOYSA-N
XLogP3.17
TPSA111.77 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.17
H-Bond Donors ≤ 55
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

benzenecarboximidamide;sulfane
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pyrene-2-carboximidamide
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3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
benzenecarboximidamide;hydron;chloride
CID 66824376
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-amino-3-carbamimidoylbenzoic acid
CID 155053742
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
benzenecarboximidamide;toluene
CID 158219006
benzenecarboximidamide;(4-phenylphenyl)methanamine
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CID 142648170

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide?
The IUPAC name of 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide (CID 175393379) is 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide.
What is the SMILES notation for 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide?
The canonical SMILES for 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide is [H]/N=C(\N)c1cc2c(c(/C(N)=N/[H])c1)CC(c1ccccc1)(c1ccccc1)N2.
What is the InChIKey of 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide?
The InChIKey is VCXSCSPIVVLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c23-20(24)14-11-17(21(25)26)18-13-22(27-19(18)12-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,27H,13H2,(H3,23,24)(H3,25,26).
What are the key properties of 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide?
2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide has a molecular weight of 355.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1,3-dihydroindole-4,6-dicarboximidamide is sourced from PubChem (CID 175393379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).