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

C20H25N5O — CID 135491899

IUPAC5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cc(CC(C)C)[nH]n4)nc3cc21
InChIInChI=1S/C20H25N5O/c1-6-25-17-10-15-14(9-13(17)20(4,5)19(25)26)21-18(22-15)16-8-12(23-24-16)7-11(2)3/h8-11H,6-7H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyAVUWPIVXLQVKLM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.80
Rot. Bonds4

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

5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135491899) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135491899
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cc(CC(C)C)[nH]n4)nc3cc21
InChIInChI=1S/C20H25N5O/c1-6-25-17-10-15-14(9-13(17)20(4,5)19(25)26)21-18(22-15)16-8-12(23-24-16)7-11(2)3/h8-11H,6-7H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyAVUWPIVXLQVKLM-UHFFFAOYSA-N
XLogP3.80
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.80
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-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135491899) is 5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-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-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cc(CC(C)C)[nH]n4)nc3cc21.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is AVUWPIVXLQVKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-6-25-17-10-15-14(9-13(17)20(4,5)19(25)26)21-18(22-15)16-8-12(23-24-16)7-11(2)3/h8-11H,6-7H2,1-5H3,(H,21,22)(H,23,24).
What are the key properties of 5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-ethyl-7,7-dimethyl-2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 351.45 g/mol, XLogP of 3.80, 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-(2-methylpropyl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135491899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).