N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide

C20H19N3 — CID 23503731

IUPACN'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide
SMILESCc1cccc(/N=C(\N)N2Cc3cccc4cccc2c34)c1C
InChIInChI=1S/C20H19N3/c1-13-6-3-10-17(14(13)2)22-20(21)23-12-16-9-4-7-15-8-5-11-18(23)19(15)16/h3-11H,12H2,1-2H3,(H2,21,22)
InChIKeyLXVQMUBBPXNXBS-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.42
Rot. Bonds1

About N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide

N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide (PubChem CID 23503731) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide
PubChem CID23503731
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide
SMILESCc1cccc(/N=C(\N)N2Cc3cccc4cccc2c34)c1C
InChIInChI=1S/C20H19N3/c1-13-6-3-10-17(14(13)2)22-20(21)23-12-16-9-4-7-15-8-5-11-18(23)19(15)16/h3-11H,12H2,1-2H3,(H2,21,22)
InChIKeyLXVQMUBBPXNXBS-UHFFFAOYSA-N
XLogP4.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide
CID 23503725
N'-(2,3-dimethylphenyl)carbamimidoyl fluoride
CID 163630481
N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide
CID 63178452
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide
CID 18709549
1,8-dimethylnaphthalene;ethane
CID 91447117
N'-(2-methylphenyl)indole-1-carboximidamide
CID 22627554
N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
CID 18709570
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
1-butyl-2H-benzo[cd]indole
CID 154019037
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide (CID 23503731) is N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide is Cc1cccc(/N=C(\N)N2Cc3cccc4cccc2c34)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide?
The InChIKey is LXVQMUBBPXNXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-6-3-10-17(14(13)2)22-20(21)23-12-16-9-4-7-15-8-5-11-18(23)19(15)16/h3-11H,12H2,1-2H3,(H2,21,22).
What are the key properties of N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide?
N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide has a molecular weight of 301.39 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide is sourced from PubChem (CID 23503731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).