1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)

C41H40N6 — CID 159936724

IUPAC1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)
SMILESC=CC1=CNCN1c1ccccc1.C=CC1=CNCN1c1ccccc1.c1ccc(N2CN(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C19H16N2.2C11H12N2/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;2*1-2-10-8-12-9-13(10)11-6-4-3-5-7-11/h1-14H,15H2;2*2-8,12H,1,9H2
InChIKeyOAIPJHYCKCQIMC-UHFFFAOYSA-N
MW616.81 g/mol
LogP9.10
Rot. Bonds6

About 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)

1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole) (PubChem CID 159936724) has the molecular formula C41H40N6 and a molecular weight of 616.81 g/mol. Its IUPAC name is 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole).

Molecular Properties

Compound Name1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)
PubChem CID159936724
Molecular FormulaC41H40N6
Molecular Weight616.81 g/mol
Exact Mass616.33
IUPAC Name1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)
SMILESC=CC1=CNCN1c1ccccc1.C=CC1=CNCN1c1ccccc1.c1ccc(N2CN(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C19H16N2.2C11H12N2/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;2*1-2-10-8-12-9-13(10)11-6-4-3-5-7-11/h1-14H,15H2;2*2-8,12H,1,9H2
InChIKeyOAIPJHYCKCQIMC-UHFFFAOYSA-N
XLogP9.10
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
CID 58281398
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole
CID 155622082
4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole
CID 170660523
3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)
CID 162463162
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
CID 59307444
2-methylidene-1-phenylpiperidine
CID 54477210
1-(2-bromophenyl)-3-phenyl-2H-perimidine
CID 156863276
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
1-phenyl-2,3-dihydroimidazo[4,5-b]pyridine
CID 139666855
9-(3-phenyl-2H-benzimidazol-1-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164796027
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)?
The IUPAC name of 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole) (CID 159936724) is 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole).
What is the SMILES notation for 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)?
The canonical SMILES for 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole) is C=CC1=CNCN1c1ccccc1.C=CC1=CNCN1c1ccccc1.c1ccc(N2CN(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)?
The InChIKey is OAIPJHYCKCQIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2.2C11H12N2/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;2*1-2-10-8-12-9-13(10)11-6-4-3-5-7-11/h1-14H,15H2;2*2-8,12H,1,9H2.
What are the key properties of 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)?
1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole) has a molecular weight of 616.81 g/mol, XLogP of 9.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole) is sourced from PubChem (CID 159936724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).