3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol

C30H24N6O — CID 71241541

IUPAC3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccc(-c3nc4ccc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C30H24N6O/c37-14-4-7-28-31-22-12-9-20(16-25(22)32-28)29-34-24-13-10-21(17-27(24)36-29)30-33-23-11-8-19(15-26(23)35-30)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-17,37H,4,7,14H2,(H,31,32)(H,33,35)(H,34,36)
InChIKeyHYRKINFKWOXWOV-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.24
Rot. Bonds6

About 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol

3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol (PubChem CID 71241541) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
PubChem CID71241541
Molecular FormulaC30H24N6O
Molecular Weight484.56 g/mol
Exact Mass484.20
IUPAC Name3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccc(-c3nc4ccc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C30H24N6O/c37-14-4-7-28-31-22-12-9-20(16-25(22)32-28)29-34-24-13-10-21(17-27(24)36-29)30-33-23-11-8-19(15-26(23)35-30)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-17,37H,4,7,14H2,(H,31,32)(H,33,35)(H,34,36)
InChIKeyHYRKINFKWOXWOV-UHFFFAOYSA-N
XLogP6.24
TPSA106.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
CID 5153534
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
CID 54132901
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
CID 816966
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
CID 79204636
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 10048048
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
CID 140987224

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol (CID 71241541) is 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccc(-c3nc4ccc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol?
The InChIKey is HYRKINFKWOXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O/c37-14-4-7-28-31-22-12-9-20(16-25(22)32-28)29-34-24-13-10-21(17-27(24)36-29)30-33-23-11-8-19(15-26(23)35-30)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-17,37H,4,7,14H2,(H,31,32)(H,33,35)(H,34,36).
What are the key properties of 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol?
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol has a molecular weight of 484.56 g/mol, XLogP of 6.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 71241541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).