2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C19H22N4O — CID 70421947

IUPAC2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(N)cc1)N3
InChIInChI=1S/C19H22N4O/c1-4-23-16-10-15-14(9-13(16)19(2,3)18(23)24)21-17(22-15)11-5-7-12(20)8-6-11/h5-10,17,21-22H,4,20H2,1-3H3
InChIKeyGJNGJAYWPUSDJJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.45
Rot. Bonds2

About 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70421947) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70421947
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(N)cc1)N3
InChIInChI=1S/C19H22N4O/c1-4-23-16-10-15-14(9-13(16)19(2,3)18(23)24)21-17(22-15)11-5-7-12(20)8-6-11/h5-10,17,21-22H,4,20H2,1-3H3
InChIKeyGJNGJAYWPUSDJJ-UHFFFAOYSA-N
XLogP3.45
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70421947) is 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(N)cc1)N3.
What is the InChIKey of 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is GJNGJAYWPUSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-23-16-10-15-14(9-13(16)19(2,3)18(23)24)21-17(22-15)11-5-7-12(20)8-6-11/h5-10,17,21-22H,4,20H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 322.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5-ethyl-7,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70421947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).