1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine

C23H24N4 — CID 142640549

IUPAC1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine
SMILES[H]/N=C(/N(C)c1ccc2cccc3c2c1CC3)N(C)N1CCc2ccccc21
InChIInChI=1S/C23H24N4/c1-25(21-13-11-18-8-5-7-17-10-12-19(21)22(17)18)23(24)26(2)27-15-14-16-6-3-4-9-20(16)27/h3-9,11,13,24H,10,12,14-15H2,1-2H3/b24-23-
InChIKeyCLANXPKVXCRMKU-VHXPQNKSSA-N
MW356.47 g/mol
LogP4.22
Rot. Bonds2

About 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine

1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine (PubChem CID 142640549) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine
PubChem CID142640549
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine
SMILES[H]/N=C(/N(C)c1ccc2cccc3c2c1CC3)N(C)N1CCc2ccccc21
InChIInChI=1S/C23H24N4/c1-25(21-13-11-18-8-5-7-17-10-12-19(21)22(17)18)23(24)26(2)27-15-14-16-6-3-4-9-20(16)27/h3-9,11,13,24H,10,12,14-15H2,1-2H3/b24-23-
InChIKeyCLANXPKVXCRMKU-VHXPQNKSSA-N
XLogP4.22
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine (CID 142640549) is 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine is [H]/N=C(/N(C)c1ccc2cccc3c2c1CC3)N(C)N1CCc2ccccc21.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine?
The InChIKey is CLANXPKVXCRMKU-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H24N4/c1-25(21-13-11-18-8-5-7-17-10-12-19(21)22(17)18)23(24)26(2)27-15-14-16-6-3-4-9-20(16)27/h3-9,11,13,24H,10,12,14-15H2,1-2H3/b24-23-.
What are the key properties of 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine?
1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine has a molecular weight of 356.47 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-3-yl)-3-(2,3-dihydroindol-1-yl)-1,3-dimethylguanidine is sourced from PubChem (CID 142640549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).