1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine

C23H28N4O2 — CID 19040825

IUPAC1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)n1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc12
InChIInChI=1S/C23H28N4O2/c1-6-25(7-2)16(3)27-20-11-9-8-10-19(20)26-15-18(24-23(26)27)17-12-13-21(28-4)22(14-17)29-5/h8-16H,6-7H2,1-5H3
InChIKeyAIOZYOBPKRKTTB-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.83
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine

1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine (PubChem CID 19040825) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
PubChem CID19040825
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)n1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc12
InChIInChI=1S/C23H28N4O2/c1-6-25(7-2)16(3)27-20-11-9-8-10-19(20)26-15-18(24-23(26)27)17-12-13-21(28-4)22(14-17)29-5/h8-16H,6-7H2,1-5H3
InChIKeyAIOZYOBPKRKTTB-UHFFFAOYSA-N
XLogP4.83
TPSA43.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine (CID 19040825) is 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine is CCN(CC)C(C)n1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc12.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The InChIKey is AIOZYOBPKRKTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-6-25(7-2)16(3)27-20-11-9-8-10-19(20)26-15-18(24-23(26)27)17-12-13-21(28-4)22(14-17)29-5/h8-16H,6-7H2,1-5H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine has a molecular weight of 392.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine is sourced from PubChem (CID 19040825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).