1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride

C14H16ClN3 — CID 155408480

IUPAC1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(C)c2c1ccc1ccccc21
InChIInChI=1S/C14H15N3.ClH/c1-9-8-17(14(15)16)12-7-6-10-4-2-3-5-11(10)13(9)12;/h2-7,9H,8H2,1H3,(H3,15,16);1H
InChIKeyPLBXXYPFMWKCFT-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.08
Rot. Bonds

About 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride

1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride (PubChem CID 155408480) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
PubChem CID155408480
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(C)c2c1ccc1ccccc21
InChIInChI=1S/C14H15N3.ClH/c1-9-8-17(14(15)16)12-7-6-10-4-2-3-5-11(10)13(9)12;/h2-7,9H,8H2,1H3,(H3,15,16);1H
InChIKeyPLBXXYPFMWKCFT-UHFFFAOYSA-N
XLogP3.08
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The IUPAC name of 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride (CID 155408480) is 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride.
What is the SMILES notation for 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The canonical SMILES for 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CC(C)c2c1ccc1ccccc21.
What is the InChIKey of 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The InChIKey is PLBXXYPFMWKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.ClH/c1-9-8-17(14(15)16)12-7-6-10-4-2-3-5-11(10)13(9)12;/h2-7,9H,8H2,1H3,(H3,15,16);1H.
What are the key properties of 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 3.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 155408480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).