5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

C19H23N5O — CID 135425354

IUPAC5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CC)n[nH]1
InChIInChI=1S/C19H23N5O/c1-5-7-11-8-15(23-22-11)17-20-13-9-12-16(10-14(13)21-17)24(6-2)18(25)19(12,3)4/h8-10H,5-7H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyUAWRJBJXHDOHST-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.55
Rot. Bonds4

About 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135425354) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135425354
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CC)n[nH]1
InChIInChI=1S/C19H23N5O/c1-5-7-11-8-15(23-22-11)17-20-13-9-12-16(10-14(13)21-17)24(6-2)18(25)19(12,3)4/h8-10H,5-7H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyUAWRJBJXHDOHST-UHFFFAOYSA-N
XLogP3.55
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135425354) is 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CC)n[nH]1.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is UAWRJBJXHDOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-7-11-8-15(23-22-11)17-20-13-9-12-16(10-14(13)21-17)24(6-2)18(25)19(12,3)4/h8-10H,5-7H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135425354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).