1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone

C25H30N4O — CID 1043076

IUPAC1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3cc(C)ccc3C)nc12
InChIInChI=1S/C25H30N4O/c1-6-27(7-2)14-15-28-21-10-8-9-11-22(21)29-24(19(5)30)23(26-25(28)29)20-16-17(3)12-13-18(20)4/h8-13,16H,6-7,14-15H2,1-5H3
InChIKeyWWWFWJYFGKURSX-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.12
Rot. Bonds7

About 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone

1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone (PubChem CID 1043076) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
PubChem CID1043076
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3cc(C)ccc3C)nc12
InChIInChI=1S/C25H30N4O/c1-6-27(7-2)14-15-28-21-10-8-9-11-22(21)29-24(19(5)30)23(26-25(28)29)20-16-17(3)12-13-18(20)4/h8-13,16H,6-7,14-15H2,1-5H3
InChIKeyWWWFWJYFGKURSX-UHFFFAOYSA-N
XLogP5.12
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone (CID 1043076) is 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone is CCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3cc(C)ccc3C)nc12.
What is the InChIKey of 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The InChIKey is WWWFWJYFGKURSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-6-27(7-2)14-15-28-21-10-8-9-11-22(21)29-24(19(5)30)23(26-25(28)29)20-16-17(3)12-13-18(20)4/h8-13,16H,6-7,14-15H2,1-5H3.
What are the key properties of 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone has a molecular weight of 402.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone is sourced from PubChem (CID 1043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).