12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium

C20H15N2O+ — CID 21301911

IUPAC12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium
SMILESc1ccc(-n2c3[n+](c4ccccc42)COc2ccccc2-3)cc1
InChIInChI=1S/C20H15N2O/c1-2-8-15(9-3-1)22-18-12-6-5-11-17(18)21-14-23-19-13-7-4-10-16(19)20(21)22/h1-13H,14H2/q+1
InChIKeyMKTMAZJAHSFBED-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.93
Rot. Bonds1

About 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium

12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium (PubChem CID 21301911) has the molecular formula C20H15N2O+ and a molecular weight of 299.35 g/mol. Its IUPAC name is 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium.

Molecular Properties

Compound Name12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium
PubChem CID21301911
Molecular FormulaC20H15N2O+
Molecular Weight299.35 g/mol
Exact Mass299.12
IUPAC Name12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium
SMILESc1ccc(-n2c3[n+](c4ccccc42)COc2ccccc2-3)cc1
InChIInChI=1S/C20H15N2O/c1-2-8-15(9-3-1)22-18-12-6-5-11-17(18)21-14-23-19-13-7-4-10-16(19)20(21)22/h1-13H,14H2/q+1
InChIKeyMKTMAZJAHSFBED-UHFFFAOYSA-N
XLogP3.93
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium 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

6-[2-(2-methoxyphenyl)-1,3-benzoxazol-3-ium-3-yl]-12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium
CID 91568262
6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium
CID 123166078
2,5-diethyl-13-phenyl-13-aza-1-azoniapentacyclo[10.7.0.02,5.06,11.014,19]nonadeca-1(12),6,8,10,14,16,18-heptaene
CID 91513471
1-methyl-2-[4-[10-[4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)phenyl]anthracen-9-yl]phenyl]-3-phenylbenzimidazol-1-ium
CID 123805851
1-phenyl-5H-chromeno[4,3-b]pyridin-2-one
CID 102268403
2-(2,5-dimethyl-4-propan-2-ylphenyl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 159100158
11-phenyl-4,8,11,17-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene
CID 162222251
6,8-bis(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
CID 90380674
2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-3-phenylbenzimidazol-1-ium
CID 123703734
1-tert-butyl-2-(2-tert-butyl-4-methylphenyl)-3-phenylbenzimidazol-1-ium
CID 140636161
6-ethenyl-5,6-diethyl-5-methyl-12-phenylbenzimidazolo[2,1-a]isoquinolin-7-ium
CID 123781734
11-phenyl-6,8,11-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene
CID 159676298

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium?
The IUPAC name of 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium (CID 21301911) is 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium.
What is the SMILES notation for 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium?
The canonical SMILES for 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium is c1ccc(-n2c3[n+](c4ccccc42)COc2ccccc2-3)cc1.
What is the InChIKey of 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium?
The InChIKey is MKTMAZJAHSFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2O/c1-2-8-15(9-3-1)22-18-12-6-5-11-17(18)21-14-23-19-13-7-4-10-16(19)20(21)22/h1-13H,14H2/q+1.
What are the key properties of 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium?
12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium has a molecular weight of 299.35 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium is sourced from PubChem (CID 21301911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).