3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one

C18H14N2O2 — CID 110273804

IUPAC3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one
SMILESCc1cc2nc3n(c2cc1C)C(=O)C(c1ccccc1)=C3O
InChIInChI=1S/C18H14N2O2/c1-10-8-13-14(9-11(10)2)20-17(19-13)16(21)15(18(20)22)12-6-4-3-5-7-12/h3-9,21H,1-2H3
InChIKeyMHNKDDVFWDZWNM-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.73
Rot. Bonds1

About 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one

3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one (PubChem CID 110273804) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one
PubChem CID110273804
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one
SMILESCc1cc2nc3n(c2cc1C)C(=O)C(c1ccccc1)=C3O
InChIInChI=1S/C18H14N2O2/c1-10-8-13-14(9-11(10)2)20-17(19-13)16(21)15(18(20)22)12-6-4-3-5-7-12/h3-9,21H,1-2H3
InChIKeyMHNKDDVFWDZWNM-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenylisoindolo[2,3-a]benzimidazol-11-one
CID 23881857
7-tert-butyl-1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
CID 91160153
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 94748134
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
1-(2-diphenylphosphanyl-5,6-dimethylbenzimidazol-1-yl)ethanone
CID 122452581
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate
CID 4915212
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide
CID 136960868
1,5,6-trimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole
CID 3076323
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one?
The IUPAC name of 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one (CID 110273804) is 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one?
The canonical SMILES for 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one is Cc1cc2nc3n(c2cc1C)C(=O)C(c1ccccc1)=C3O.
What is the InChIKey of 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one?
The InChIKey is MHNKDDVFWDZWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-10-8-13-14(9-11(10)2)20-17(19-13)16(21)15(18(20)22)12-6-4-3-5-7-12/h3-9,21H,1-2H3.
What are the key properties of 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one?
3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6,7-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 110273804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).