N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine

C14H16N4O2 — CID 47146024

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine
SMILESCN(c1c([N+](=O)[O-])ncn1C)C1CCc2ccccc21
InChIInChI=1S/C14H16N4O2/c1-16-9-15-13(18(19)20)14(16)17(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZZNJXJMFNKFEJG-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.45
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine

N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine (PubChem CID 47146024) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine
PubChem CID47146024
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine
SMILESCN(c1c([N+](=O)[O-])ncn1C)C1CCc2ccccc21
InChIInChI=1S/C14H16N4O2/c1-16-9-15-13(18(19)20)14(16)17(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZZNJXJMFNKFEJG-UHFFFAOYSA-N
XLogP2.45
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine 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

N-benzyl-1-methyl-5-nitro-1H-imidazol-4-amine
CID 3628746
1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-
CID 3838223
1-Benzyl-4-nitro-1H-imidazole
CID 534138
1-Benzyl-2-methyl-5-nitro-1H-imidazole
CID 1080100
1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine
CID 2836220
2-Methyl-1-[(2-methylphenyl)methyl]-5-nitroimidazole
CID 738171
N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-5-nitroimidazol-4-amine
CID 2811041
N-benzyl-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]cyclohexanamine
CID 44398493
1-Benzyl-2-methyl-4-nitro-1H-imidazole
CID 759322
1-Benzhydryl-4-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 2811039
1-Benzyl-4-bromo-5-nitro-1h-imidazole
CID 286580
1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(9H-fluoren-9-yl)piperazine
CID 2915930

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine (CID 47146024) is N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine is CN(c1c([N+](=O)[O-])ncn1C)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine?
The InChIKey is ZZNJXJMFNKFEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-16-9-15-13(18(19)20)14(16)17(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine?
N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine has a molecular weight of 272.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 47146024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).