4-(1H-benzimidazol-2-yl)-2-bromophenol

C26H18Br2N4O2 — CID 159596714

IUPAC4-(1H-benzimidazol-2-yl)-2-bromophenol
SMILESOc1ccc(-c2nc3ccccc3[nH]2)cc1Br.Oc1ccc(-c2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/2C13H9BrN2O/c2*14-9-7-8(5-6-12(9)17)13-15-10-3-1-2-4-11(10)16-13/h2*1-7,17H,(H,15,16)
InChIKeyMKYDJJNCHNEADE-UHFFFAOYSA-N
MW578.26 g/mol
LogP7.40
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-2-bromophenol

4-(1H-benzimidazol-2-yl)-2-bromophenol (PubChem CID 159596714) has the molecular formula C26H18Br2N4O2 and a molecular weight of 578.26 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-bromophenol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-bromophenol
PubChem CID159596714
Molecular FormulaC26H18Br2N4O2
Molecular Weight578.26 g/mol
Exact Mass575.98
IUPAC Name4-(1H-benzimidazol-2-yl)-2-bromophenol
SMILESOc1ccc(-c2nc3ccccc3[nH]2)cc1Br.Oc1ccc(-c2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/2C13H9BrN2O/c2*14-9-7-8(5-6-12(9)17)13-15-10-3-1-2-4-11(10)16-13/h2*1-7,17H,(H,15,16)
InChIKeyMKYDJJNCHNEADE-UHFFFAOYSA-N
XLogP7.40
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.26
LogP ≤ 57.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 136837284
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CID 136837301
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
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4-(1H-benzimidazol-2-yl)-2-nitrophenol
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2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-phenyl-1H-benzimidazole;zinc
CID 174639851
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CID 172858780

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-bromophenol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-bromophenol (CID 159596714) is 4-(1H-benzimidazol-2-yl)-2-bromophenol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-bromophenol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-bromophenol is Oc1ccc(-c2nc3ccccc3[nH]2)cc1Br.Oc1ccc(-c2nc3ccccc3[nH]2)cc1Br.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-bromophenol?
The InChIKey is MKYDJJNCHNEADE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9BrN2O/c2*14-9-7-8(5-6-12(9)17)13-15-10-3-1-2-4-11(10)16-13/h2*1-7,17H,(H,15,16).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-bromophenol?
4-(1H-benzimidazol-2-yl)-2-bromophenol has a molecular weight of 578.26 g/mol, XLogP of 7.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-bromophenol is sourced from PubChem (CID 159596714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).