4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol

C21H24N4O — CID 878680

IUPAC4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C21H24N4O/c1-3-23(4-2)13-14-24-19-7-5-6-8-20(19)25-15-18(22-21(24)25)16-9-11-17(26)12-10-16/h5-12,15,26H,3-4,13-14H2,1-2H3
InChIKeyTZPQSGYXPJUXAC-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.00
Rot. Bonds6

About 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol

4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol (PubChem CID 878680) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
PubChem CID878680
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C21H24N4O/c1-3-23(4-2)13-14-24-19-7-5-6-8-20(19)25-15-18(22-21(24)25)16-9-11-17(26)12-10-16/h5-12,15,26H,3-4,13-14H2,1-2H3
InChIKeyTZPQSGYXPJUXAC-UHFFFAOYSA-N
XLogP4.00
TPSA45.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol?
The IUPAC name of 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol (CID 878680) is 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol?
The canonical SMILES for 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol is CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol?
The InChIKey is TZPQSGYXPJUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-23(4-2)13-14-24-19-7-5-6-8-20(19)25-15-18(22-21(24)25)16-9-11-17(26)12-10-16/h5-12,15,26H,3-4,13-14H2,1-2H3.
What are the key properties of 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol?
4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol has a molecular weight of 348.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol is sourced from PubChem (CID 878680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).