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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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).