2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide

C17H16N4 — CID 3010575

IUPAC2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=Cc3ccc(/C(N)=N/[H])cc3C2)cc1
InChIInChI=1S/C17H16N4/c18-16(19)11-3-1-10(2-4-11)14-7-12-5-6-13(17(20)21)8-15(12)9-14/h1-8H,9H2,(H3,18,19)(H3,20,21)
InChIKeyKMRREDJDPNDZJC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide

2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide (PubChem CID 3010575) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide.

Molecular Properties

Compound Name2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide
PubChem CID3010575
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=Cc3ccc(/C(N)=N/[H])cc3C2)cc1
InChIInChI=1S/C17H16N4/c18-16(19)11-3-1-10(2-4-11)14-7-12-5-6-13(17(20)21)8-15(12)9-14/h1-8H,9H2,(H3,18,19)(H3,20,21)
InChIKeyKMRREDJDPNDZJC-UHFFFAOYSA-N
XLogP2.35
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(4-carbamimidoylphenyl)-3H-indene-5-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

Stilbamidine
CID 5351747
1,3-Diiminobenz(f)isoindoline
CID 171660
Sardomozide
CID 9576789
beta-Naphthamidine
CID 193409
[1,1':4',1''-Terphenyl]-4,4''-bis(carboximidamide)
CID 11849800
Paranyline
CID 160409
6-Styryl-naphthalene-2-carboxamidine
CID 21707121
1,1''-Biphenyl-3,3''-dicarboximidamide
CID 10082914
6-(2-Phenylcyclopropyl)naphthalene-2-carboximidamide
CID 21707065
4-[[4-(4-Carbamimidoylphenyl)phenyl]methyl]benzenecarboximidamide
CID 23160961
4,4'-(Ethene-1,2-diyl)di(benzene-1-carboximidamide)
CID 8811
Paranyline Hydrochloride
CID 3047811

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide?
The IUPAC name of 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide (CID 3010575) is 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide.
What is the SMILES notation for 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide?
The canonical SMILES for 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide is [H]/N=C(\N)c1ccc(C2=Cc3ccc(/C(N)=N/[H])cc3C2)cc1.
What is the InChIKey of 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide?
The InChIKey is KMRREDJDPNDZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-16(19)11-3-1-10(2-4-11)14-7-12-5-6-13(17(20)21)8-15(12)9-14/h1-8H,9H2,(H3,18,19)(H3,20,21).
What are the key properties of 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide?
2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide has a molecular weight of 276.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoylphenyl)-3H-indene-5-carboximidamide is sourced from PubChem (CID 3010575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).