N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide

C25H21N3O — CID 23503725

IUPACN'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide
SMILESN/C(=N\c1ccc(OCc2ccccc2)cc1)N1Cc2cccc3cccc1c23
InChIInChI=1S/C25H21N3O/c26-25(28-16-20-10-4-8-19-9-5-11-23(28)24(19)20)27-21-12-14-22(15-13-21)29-17-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,26,27)
InChIKeyUFGNXMIDLCVTDO-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.39
Rot. Bonds4

About N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide

N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide (PubChem CID 23503725) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide
PubChem CID23503725
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC NameN'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide
SMILESN/C(=N\c1ccc(OCc2ccccc2)cc1)N1Cc2cccc3cccc1c23
InChIInChI=1S/C25H21N3O/c26-25(28-16-20-10-4-8-19-9-5-11-23(28)24(19)20)27-21-12-14-22(15-13-21)29-17-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,26,27)
InChIKeyUFGNXMIDLCVTDO-UHFFFAOYSA-N
XLogP5.39
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.39
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'}

Analyze N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine
CID 22675851
1-cyano-2-(4-phenylmethoxyphenyl)guanidine
CID 142011249
4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N'-(4-phenylmethoxyphenyl)piperazine-1-carboximidamide
CID 22629278
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
4-phenylmethoxyaniline
CID 159966727
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide?
The IUPAC name of N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide (CID 23503725) is N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide.
What is the SMILES notation for N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide?
The canonical SMILES for N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide is N/C(=N\c1ccc(OCc2ccccc2)cc1)N1Cc2cccc3cccc1c23.
What is the InChIKey of N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide?
The InChIKey is UFGNXMIDLCVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c26-25(28-16-20-10-4-8-19-9-5-11-23(28)24(19)20)27-21-12-14-22(15-13-21)29-17-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,26,27).
What are the key properties of N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide?
N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide has a molecular weight of 379.46 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide is sourced from PubChem (CID 23503725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).