1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone

C25H26N4OS — CID 164611291

IUPAC1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3cc4ccccc4s3)c(C)nc12
InChIInChI=1S/C25H26N4OS/c1-4-27(5-2)14-15-28-19-11-7-8-12-20(19)29-23(17(3)26-25(28)29)24(30)22-16-18-10-6-9-13-21(18)31-22/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyXJJIFPFCNMUMIR-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.38
Rot. Bonds7

About 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone

1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone (PubChem CID 164611291) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone
PubChem CID164611291
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3cc4ccccc4s3)c(C)nc12
InChIInChI=1S/C25H26N4OS/c1-4-27(5-2)14-15-28-19-11-7-8-12-20(19)29-23(17(3)26-25(28)29)24(30)22-16-18-10-6-9-13-21(18)31-22/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyXJJIFPFCNMUMIR-UHFFFAOYSA-N
XLogP5.38
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone (CID 164611291) is 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone is CCN(CC)CCn1c2ccccc2n2c(C(=O)c3cc4ccccc4s3)c(C)nc12.
What is the InChIKey of 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone?
The InChIKey is XJJIFPFCNMUMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-4-27(5-2)14-15-28-19-11-7-8-12-20(19)29-23(17(3)26-25(28)29)24(30)22-16-18-10-6-9-13-21(18)31-22/h6-13,16H,4-5,14-15H2,1-3H3.
What are the key properties of 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone?
1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone has a molecular weight of 430.58 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]methanone is sourced from PubChem (CID 164611291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).