7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

C17H14N4O — CID 22162263

IUPAC7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC(C)=C1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21
InChIInChI=1S/C17H14N4O/c1-9(2)15-11-6-13-14(7-12(11)21-17(15)22)20-16(19-13)10-4-3-5-18-8-10/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKeyDMJHHSXUJWWPEP-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.37
Rot. Bonds1

About 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 22162263) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID22162263
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC(C)=C1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21
InChIInChI=1S/C17H14N4O/c1-9(2)15-11-6-13-14(7-12(11)21-17(15)22)20-16(19-13)10-4-3-5-18-8-10/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKeyDMJHHSXUJWWPEP-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
CID 22162187
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421400
4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 63611953
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966
6-methyl-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79015085
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
CID 135638352
7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 22162263) is 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is CC(C)=C1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21.
What is the InChIKey of 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is DMJHHSXUJWWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-9(2)15-11-6-13-14(7-12(11)21-17(15)22)20-16(19-13)10-4-3-5-18-8-10/h3-8H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 290.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 22162263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).