2-phenanthren-9-yl-4,5-dihydro-1H-imidazole

C17H14N2 — CID 10634173

IUPAC2-phenanthren-9-yl-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)cc(C1=NCCN1)c1ccccc12
InChIInChI=1S/C17H14N2/c1-2-6-13-12(5-1)11-16(17-18-9-10-19-17)15-8-4-3-7-14(13)15/h1-8,11H,9-10H2,(H,18,19)
InChIKeyKSHHDMBEBWKJAO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.34
Rot. Bonds1

About 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole

2-phenanthren-9-yl-4,5-dihydro-1H-imidazole (PubChem CID 10634173) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-phenanthren-9-yl-4,5-dihydro-1H-imidazole
PubChem CID10634173
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-phenanthren-9-yl-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)cc(C1=NCCN1)c1ccccc12
InChIInChI=1S/C17H14N2/c1-2-6-13-12(5-1)11-16(17-18-9-10-19-17)15-8-4-3-7-14(13)15/h1-8,11H,9-10H2,(H,18,19)
InChIKeyKSHHDMBEBWKJAO-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole (CID 10634173) is 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole is c1ccc2c(c1)cc(C1=NCCN1)c1ccccc12.
What is the InChIKey of 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole?
The InChIKey is KSHHDMBEBWKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-6-13-12(5-1)11-16(17-18-9-10-19-17)15-8-4-3-7-14(13)15/h1-8,11H,9-10H2,(H,18,19).
What are the key properties of 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole?
2-phenanthren-9-yl-4,5-dihydro-1H-imidazole has a molecular weight of 246.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).