[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone

C21H24N4OS — CID 1097861

IUPAC[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12
InChIInChI=1S/C21H24N4OS/c1-4-23(5-2)12-13-24-16-9-6-7-10-17(16)25-19(15(3)22-21(24)25)20(26)18-11-8-14-27-18/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyVKQAWTZPUYYIHD-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.23
Rot. Bonds7

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

[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 1097861) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone
PubChem CID1097861
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12
InChIInChI=1S/C21H24N4OS/c1-4-23(5-2)12-13-24-16-9-6-7-10-17(16)25-19(15(3)22-21(24)25)20(26)18-11-8-14-27-18/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyVKQAWTZPUYYIHD-UHFFFAOYSA-N
XLogP4.23
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone (CID 1097861) is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone is CCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12.
What is the InChIKey of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VKQAWTZPUYYIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-4-23(5-2)12-13-24-16-9-6-7-10-17(16)25-19(15(3)22-21(24)25)20(26)18-11-8-14-27-18/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone?
[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 380.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1097861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).