N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine

C12H12N4 — CID 88805864

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine
SMILESc1ccc2c(c1)CC/C2=N/Nc1ncc[nH]1
InChIInChI=1S/C12H12N4/c1-2-4-10-9(3-1)5-6-11(10)15-16-12-13-7-8-14-12/h1-4,7-8H,5-6H2,(H2,13,14,16)/b15-11-
InChIKeyUOLVVEMAKJZFKE-PTNGSMBKSA-N
MW212.26 g/mol
LogP2.17
Rot. Bonds2

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine (PubChem CID 88805864) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine
PubChem CID88805864
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine
SMILESc1ccc2c(c1)CC/C2=N/Nc1ncc[nH]1
InChIInChI=1S/C12H12N4/c1-2-4-10-9(3-1)5-6-11(10)15-16-12-13-7-8-14-12/h1-4,7-8H,5-6H2,(H2,13,14,16)/b15-11-
InChIKeyUOLVVEMAKJZFKE-PTNGSMBKSA-N
XLogP2.17
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine (CID 88805864) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine is c1ccc2c(c1)CC/C2=N/Nc1ncc[nH]1.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine?
The InChIKey is UOLVVEMAKJZFKE-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-10-9(3-1)5-6-11(10)15-16-12-13-7-8-14-12/h1-4,7-8H,5-6H2,(H2,13,14,16)/b15-11-.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine has a molecular weight of 212.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine is sourced from PubChem (CID 88805864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).