N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine

C12H14N4 — CID 2807044

IUPACN-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)CCC2=NNC1=NCCN1
InChIInChI=1S/C12H14N4/c1-2-4-10-9(3-1)5-6-11(10)15-16-12-13-7-8-14-12/h1-4H,5-8H2,(H2,13,14,16)
InChIKeyFHHGDCBOLMMRRT-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.89
Rot. Bonds1

About N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine

N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 2807044) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID2807044
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)CCC2=NNC1=NCCN1
InChIInChI=1S/C12H14N4/c1-2-4-10-9(3-1)5-6-11(10)15-16-12-13-7-8-14-12/h1-4H,5-8H2,(H2,13,14,16)
InChIKeyFHHGDCBOLMMRRT-UHFFFAOYSA-N
XLogP0.89
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.89
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine (CID 2807044) is N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine is c1ccc2c(c1)CCC2=NNC1=NCCN1.
What is the InChIKey of N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FHHGDCBOLMMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-10-9(3-1)5-6-11(10)15-16-12-13-7-8-14-12/h1-4H,5-8H2,(H2,13,14,16).
What are the key properties of N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 214.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 2807044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).