N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C13H17ClN4 — CID 70619382

IUPACN-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCc1cccc2c1C(=NNC1=NCCN1)CC2.Cl
InChIInChI=1S/C13H16N4.ClH/c1-9-3-2-4-10-5-6-11(12(9)10)16-17-13-14-7-8-15-13;/h2-4H,5-8H2,1H3,(H2,14,15,17);1H
InChIKeyKUMPOYTYIWVXDA-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.62
Rot. Bonds1

About N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 70619382) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID70619382
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCc1cccc2c1C(=NNC1=NCCN1)CC2.Cl
InChIInChI=1S/C13H16N4.ClH/c1-9-3-2-4-10-5-6-11(12(9)10)16-17-13-14-7-8-15-13;/h2-4H,5-8H2,1H3,(H2,14,15,17);1H
InChIKeyKUMPOYTYIWVXDA-UHFFFAOYSA-N
XLogP1.62
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;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 N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 70619382) is N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cc1cccc2c1C(=NNC1=NCCN1)CC2.Cl.
What is the InChIKey of N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is KUMPOYTYIWVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.ClH/c1-9-3-2-4-10-5-6-11(12(9)10)16-17-13-14-7-8-15-13;/h2-4H,5-8H2,1H3,(H2,14,15,17);1H.
What are the key properties of N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 70619382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).