2-(1,2-diphenylindol-3-yl)-1H-benzimidazole

C27H19N3 — CID 20634023

IUPAC2-(1,2-diphenylindol-3-yl)-1H-benzimidazole
SMILESc1ccc(-c2c(-c3nc4ccccc4[nH]3)c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C27H19N3/c1-3-11-19(12-4-1)26-25(27-28-22-16-8-9-17-23(22)29-27)21-15-7-10-18-24(21)30(26)20-13-5-2-6-14-20/h1-18H,(H,28,29)
InChIKeyMFWDXCOKTCNFPL-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.84
Rot. Bonds3

About 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole

2-(1,2-diphenylindol-3-yl)-1H-benzimidazole (PubChem CID 20634023) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,2-diphenylindol-3-yl)-1H-benzimidazole
PubChem CID20634023
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name2-(1,2-diphenylindol-3-yl)-1H-benzimidazole
SMILESc1ccc(-c2c(-c3nc4ccccc4[nH]3)c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C27H19N3/c1-3-11-19(12-4-1)26-25(27-28-22-16-8-9-17-23(22)29-27)21-15-7-10-18-24(21)30(26)20-13-5-2-6-14-20/h1-18H,(H,28,29)
InChIKeyMFWDXCOKTCNFPL-UHFFFAOYSA-N
XLogP6.84
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole
CID 161419361
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
CID 129085638
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
CID 137395005
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(1,5-diphenylpyrazol-4-yl)-1H-benzimidazole
CID 15468395
1,2,3-triphenylbenzo[f]indole
CID 102138150
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-benzimidazole
CID 50879804
2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
CID 139193786

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole (CID 20634023) is 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole is c1ccc(-c2c(-c3nc4ccccc4[nH]3)c3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole?
The InChIKey is MFWDXCOKTCNFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3/c1-3-11-19(12-4-1)26-25(27-28-22-16-8-9-17-23(22)29-27)21-15-7-10-18-24(21)30(26)20-13-5-2-6-14-20/h1-18H,(H,28,29).
What are the key properties of 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole?
2-(1,2-diphenylindol-3-yl)-1H-benzimidazole has a molecular weight of 385.47 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenylindol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 20634023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).