2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole

C22H17N3 — CID 15249942

IUPAC2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole
SMILESCc1nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc2[nH]1
InChIInChI=1S/C22H17N3/c1-14-23-19-12-17-18(13-20(19)24-14)25-22(16-10-6-3-7-11-16)21(17)15-8-4-2-5-9-15/h2-13,25H,1H3,(H,23,24)
InChIKeyABZGUCHXKUTXNM-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.69
Rot. Bonds2

About 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole

2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole (PubChem CID 15249942) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole
PubChem CID15249942
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole
SMILESCc1nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc2[nH]1
InChIInChI=1S/C22H17N3/c1-14-23-19-12-17-18(13-20(19)24-14)25-22(16-10-6-3-7-11-16)21(17)15-8-4-2-5-9-15/h2-13,25H,1H3,(H,23,24)
InChIKeyABZGUCHXKUTXNM-UHFFFAOYSA-N
XLogP5.69
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole?
The IUPAC name of 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole (CID 15249942) is 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole.
What is the SMILES notation for 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole?
The canonical SMILES for 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole is Cc1nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc2[nH]1.
What is the InChIKey of 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole?
The InChIKey is ABZGUCHXKUTXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-14-23-19-12-17-18(13-20(19)24-14)25-22(16-10-6-3-7-11-16)21(17)15-8-4-2-5-9-15/h2-13,25H,1H3,(H,23,24).
What are the key properties of 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole?
2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole has a molecular weight of 323.40 g/mol, XLogP of 5.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole is sourced from PubChem (CID 15249942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).