4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole

C26H18N4O — CID 175555971

IUPAC4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole
SMILESc1cc(Oc2cccc(-c3cccc4[nH]cnc34)c2)cc(-c2cccc3[nH]cnc23)c1
InChIInChI=1S/C26H18N4O/c1-5-17(21-9-3-11-23-25(21)29-15-27-23)13-19(7-1)31-20-8-2-6-18(14-20)22-10-4-12-24-26(22)30-16-28-24/h1-16H,(H,27,29)(H,28,30)
InChIKeyMDPLFDALOWICLQ-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.57
Rot. Bonds4

About 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole

4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole (PubChem CID 175555971) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole
PubChem CID175555971
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole
SMILESc1cc(Oc2cccc(-c3cccc4[nH]cnc34)c2)cc(-c2cccc3[nH]cnc23)c1
InChIInChI=1S/C26H18N4O/c1-5-17(21-9-3-11-23-25(21)29-15-27-23)13-19(7-1)31-20-8-2-6-18(14-20)22-10-4-12-24-26(22)30-16-28-24/h1-16H,(H,27,29)(H,28,30)
InChIKeyMDPLFDALOWICLQ-UHFFFAOYSA-N
XLogP6.57
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-benzimidazol-4-yl)isoquinoline
CID 146399021
4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole
CID 175461908
ethane;4-(4-nitrophenyl)-1H-benzimidazole
CID 142402011
4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
CID 66835930
3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
CID 162633785
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
4-(furan-3-yl)-1H-benzimidazole;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne
CID 160840351
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
4-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 59279265
2-(1H-benzimidazol-4-yloxy)ethanol
CID 70333523
7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135856872

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole (CID 175555971) is 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole is c1cc(Oc2cccc(-c3cccc4[nH]cnc34)c2)cc(-c2cccc3[nH]cnc23)c1.
What is the InChIKey of 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole?
The InChIKey is MDPLFDALOWICLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-5-17(21-9-3-11-23-25(21)29-15-27-23)13-19(7-1)31-20-8-2-6-18(14-20)22-10-4-12-24-26(22)30-16-28-24/h1-16H,(H,27,29)(H,28,30).
What are the key properties of 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole?
4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole has a molecular weight of 402.46 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 175555971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).