1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide

C34H34N4 — CID 3619037

IUPAC1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide
SMILESCc1ccc(NC(=N\C2CCc3ccccc32)/C(=N/C2CCc3ccccc32)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C34H34N4/c1-23-11-17-27(18-12-23)35-33(37-31-21-15-25-7-3-5-9-29(25)31)34(36-28-19-13-24(2)14-20-28)38-32-22-16-26-8-4-6-10-30(26)32/h3-14,17-20,31-32H,15-16,21-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyKPDXNJQSGHYNGS-UHFFFAOYSA-N
MW498.67 g/mol
LogP8.00
Rot. Bonds4

About 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide

1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide (PubChem CID 3619037) has the molecular formula C34H34N4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide.

Molecular Properties

Compound Name1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide
PubChem CID3619037
Molecular FormulaC34H34N4
Molecular Weight498.67 g/mol
Exact Mass498.28
IUPAC Name1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide
SMILESCc1ccc(NC(=N\C2CCc3ccccc32)/C(=N/C2CCc3ccccc32)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C34H34N4/c1-23-11-17-27(18-12-23)35-33(37-31-21-15-25-7-3-5-9-29(25)31)34(36-28-19-13-24(2)14-20-28)38-32-22-16-26-8-4-6-10-30(26)32/h3-14,17-20,31-32H,15-16,21-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyKPDXNJQSGHYNGS-UHFFFAOYSA-N
XLogP8.00
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 58.00
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

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CID 92767297
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CID 2523881
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CID 2560664
(2R)-N-(4-methylphenyl)-2-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2560661
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CID 89202215
1-amino-3-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 116513428
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Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide?
The IUPAC name of 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide (CID 3619037) is 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide.
What is the SMILES notation for 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide?
The canonical SMILES for 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide is Cc1ccc(NC(=N\C2CCc3ccccc32)/C(=N/C2CCc3ccccc32)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide?
The InChIKey is KPDXNJQSGHYNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4/c1-23-11-17-27(18-12-23)35-33(37-31-21-15-25-7-3-5-9-29(25)31)34(36-28-19-13-24(2)14-20-28)38-32-22-16-26-8-4-6-10-30(26)32/h3-14,17-20,31-32H,15-16,21-22H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide?
1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide has a molecular weight of 498.67 g/mol, XLogP of 8.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(2,3-dihydro-1H-inden-1-yl)-1-N,2-N-bis(4-methylphenyl)ethanediimidamide is sourced from PubChem (CID 3619037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).