4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol

C20H23BrN4O — CID 135401452

IUPAC4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
SMILESCCN(CC)CCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21
InChIInChI=1S/C20H23BrN4O/c1-3-24(4-2)11-12-25-18-8-6-5-7-17(18)23-20(25)22-14-15-13-16(21)9-10-19(15)26/h5-10,13-14,26H,3-4,11-12H2,1-2H3/b22-14+
InChIKeyOBFVSCJGOGOFRG-HYARGMPZSA-N
MW415.34 g/mol
LogP4.60
Rot. Bonds7

About 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol

4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol (PubChem CID 135401452) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
PubChem CID135401452
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC Name4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
SMILESCCN(CC)CCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21
InChIInChI=1S/C20H23BrN4O/c1-3-24(4-2)11-12-25-18-8-6-5-7-17(18)23-20(25)22-14-15-13-16(21)9-10-19(15)26/h5-10,13-14,26H,3-4,11-12H2,1-2H3/b22-14+
InChIKeyOBFVSCJGOGOFRG-HYARGMPZSA-N
XLogP4.60
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
2-[[(1-Methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
CID 889915
2-({[5-(3-bromophenyl)-1-methyl-1H-imidazol-2-yl]amino}methyl)phenol
CID 1096475
2-{[(1-methyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715137
4-Bromo-2-{[(1-methyl-1H-benzimidazol-2-YL)amino]methyl}phenol
CID 715151
2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 2901315
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619907
2-[[(1-Propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 709553

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol (CID 135401452) is 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol is CCN(CC)CCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21.
What is the InChIKey of 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
The InChIKey is OBFVSCJGOGOFRG-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23BrN4O/c1-3-24(4-2)11-12-25-18-8-6-5-7-17(18)23-20(25)22-14-15-13-16(21)9-10-19(15)26/h5-10,13-14,26H,3-4,11-12H2,1-2H3/b22-14+.
What are the key properties of 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol has a molecular weight of 415.34 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135401452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).