4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol

C26H23N5O — CID 136866247

IUPAC4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
SMILESOc1ccc(-c2nc3ccccc3[nH]2)cc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C26H23N5O/c32-25-12-11-19(26-29-23-9-1-2-10-24(23)30-26)15-20(25)16-31(17-21-7-3-5-13-27-21)18-22-8-4-6-14-28-22/h1-15,32H,16-18H2,(H,29,30)
InChIKeyBFOUTFYPUKPRRB-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.93
Rot. Bonds7

About 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol

4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol (PubChem CID 136866247) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
PubChem CID136866247
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
SMILESOc1ccc(-c2nc3ccccc3[nH]2)cc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C26H23N5O/c32-25-12-11-19(26-29-23-9-1-2-10-24(23)30-26)15-20(25)16-31(17-21-7-3-5-13-27-21)18-22-8-4-6-14-28-22/h1-15,32H,16-18H2,(H,29,30)
InChIKeyBFOUTFYPUKPRRB-UHFFFAOYSA-N
XLogP4.93
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 102241640
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-naphthalen-2-ylphenol
CID 11388646
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
4-(1H-benzimidazol-2-yl)-2-nitrophenol
CID 135696400
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine
CID 102048444
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
[4-(1H-benzimidazol-2-yl)-2-fluorophenyl]methanol
CID 168555763
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol (CID 136866247) is 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol is Oc1ccc(-c2nc3ccccc3[nH]2)cc1CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is BFOUTFYPUKPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c32-25-12-11-19(26-29-23-9-1-2-10-24(23)30-26)15-20(25)16-31(17-21-7-3-5-13-27-21)18-22-8-4-6-14-28-22/h1-15,32H,16-18H2,(H,29,30).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol?
4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 421.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 136866247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).