7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C20H17N5O — CID 21272633

IUPAC7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCC1C(=O)Nc2cc3nc(-c4ccc(-n5ccnc5)cc4)[nH]c3cc21
InChIInChI=1S/C20H17N5O/c1-2-14-15-9-17-18(10-16(15)24-20(14)26)23-19(22-17)12-3-5-13(6-4-12)25-8-7-21-11-25/h3-11,14H,2H2,1H3,(H,22,23)(H,24,26)
InChIKeyDGNLWNJHJHUTTE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.86
Rot. Bonds3

About 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 21272633) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID21272633
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCC1C(=O)Nc2cc3nc(-c4ccc(-n5ccnc5)cc4)[nH]c3cc21
InChIInChI=1S/C20H17N5O/c1-2-14-15-9-17-18(10-16(15)24-20(14)26)23-19(22-17)12-3-5-13(6-4-12)25-8-7-21-11-25/h3-11,14H,2H2,1H3,(H,22,23)(H,24,26)
InChIKeyDGNLWNJHJHUTTE-UHFFFAOYSA-N
XLogP3.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one with MolForge

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Related Compounds

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CID 24776357

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 21272633) is 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCC1C(=O)Nc2cc3nc(-c4ccc(-n5ccnc5)cc4)[nH]c3cc21.
What is the InChIKey of 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is DGNLWNJHJHUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-14-15-9-17-18(10-16(15)24-20(14)26)23-19(22-17)12-3-5-13(6-4-12)25-8-7-21-11-25/h3-11,14H,2H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 343.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-imidazol-1-ylphenyl)-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 21272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).