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

C20H24N4O — CID 135822358

IUPAC2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
SMILESCCN(CC)CCn1c(/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-3-23(4-2)13-14-24-18-11-7-6-10-17(18)22-20(24)21-15-16-9-5-8-12-19(16)25/h5-12,15,25H,3-4,13-14H2,1-2H3/b21-15+
InChIKeyMCONJEUXXIAFGO-RCCKNPSSSA-N
MW336.44 g/mol
LogP3.83
Rot. Bonds7

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

2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol (PubChem CID 135822358) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
PubChem CID135822358
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
SMILESCCN(CC)CCn1c(/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-3-23(4-2)13-14-24-18-11-7-6-10-17(18)22-20(24)21-15-16-9-5-8-12-19(16)25/h5-12,15,25H,3-4,13-14H2,1-2H3/b21-15+
InChIKeyMCONJEUXXIAFGO-RCCKNPSSSA-N
XLogP3.83
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.83
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-bromo-2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]phenol
CID 135641159
4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
CID 3598665
2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 1212470
2-[(E)-(1-hexadecylbenzimidazol-2-yl)iminomethyl]-4-methoxyphenol
CID 135549648
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]-6-nitrophenol
CID 135822244
2-[(1-benzylbenzimidazol-2-yl)iminomethyl]-5-ethoxyphenol
CID 1218144
2-[(E)-(1-benzylbenzimidazol-2-yl)iminomethyl]-4-bromophenol
CID 135572140
2-[2-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 3746017
6-bromo-1-[(E)-(1-heptylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 135606674
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol (CID 135822358) is 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol is CCN(CC)CCn1c(/N=C/c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
The InChIKey is MCONJEUXXIAFGO-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-23(4-2)13-14-24-18-11-7-6-10-17(18)22-20(24)21-15-16-9-5-8-12-19(16)25/h5-12,15,25H,3-4,13-14H2,1-2H3/b21-15+.
What are the key properties of 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol?
2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol has a molecular weight of 336.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135822358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).