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

C22H25N3O — CID 70891665

IUPAC7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCc4ccccc4)nc3cc21
InChIInChI=1S/C22H25N3O/c1-4-12-25-19-14-18-17(13-16(19)22(2,3)21(25)26)23-20(24-18)11-10-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,23,24)
InChIKeyQSCRREKOQXXOGM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.38
Rot. Bonds5

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

7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70891665) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70891665
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCc4ccccc4)nc3cc21
InChIInChI=1S/C22H25N3O/c1-4-12-25-19-14-18-17(13-16(19)22(2,3)21(25)26)23-20(24-18)11-10-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,23,24)
InChIKeyQSCRREKOQXXOGM-UHFFFAOYSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70891665) is 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCCN1C(=O)C(C)(C)c2cc3[nH]c(CCc4ccccc4)nc3cc21.
What is the InChIKey of 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is QSCRREKOQXXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-12-25-19-14-18-17(13-16(19)22(2,3)21(25)26)23-20(24-18)11-10-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,23,24).
What are the key properties of 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 347.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70891665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).