3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole

C14H12N2 — CID 162403249

IUPAC3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole
SMILESC1=CC2=NC(c3ccccc3)N3CC23C=C1
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)13-15-12-8-4-5-9-14(12)10-16(13)14/h1-9,13H,10H2
InChIKeyVXSYXWULYKBUHA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.32
Rot. Bonds1

About 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole

3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole (PubChem CID 162403249) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole.

Molecular Properties

Compound Name3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole
PubChem CID162403249
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole
SMILESC1=CC2=NC(c3ccccc3)N3CC23C=C1
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)13-15-12-8-4-5-9-14(12)10-16(13)14/h1-9,13H,10H2
InChIKeyVXSYXWULYKBUHA-UHFFFAOYSA-N
XLogP2.32
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole 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

(2S,5R)-2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7471917
(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
CID 134895589
4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid
CID 135022370
2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole
CID 23272349
(2S,5S,6R)-2,4,6-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7230464
N-benzyl-1-phenyl-N-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methyl]methanamine
CID 11180693
CID 157478328
CID 157478328
(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol
CID 142741080
(12R)-12-phenyl-1,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),7,10-trien-10-amine
CID 136868009
(4S,5R)-1,3,4,5-tetraphenylimidazolidine
CID 15727757
(2,2-difluorocyclobutyl)benzene
CID 91804683
(3aR)-5,5-difluoro-2-phenyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxole
CID 146554518

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole?
The IUPAC name of 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole (CID 162403249) is 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole.
What is the SMILES notation for 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole?
The canonical SMILES for 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole is C1=CC2=NC(c3ccccc3)N3CC23C=C1.
What is the InChIKey of 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole?
The InChIKey is VXSYXWULYKBUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-11(7-3-1)13-15-12-8-4-5-9-14(12)10-16(13)14/h1-9,13H,10H2.
What are the key properties of 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole?
3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole has a molecular weight of 208.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3-dihydroazirino[2,1-i]benzimidazole is sourced from PubChem (CID 162403249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).