1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride

C18H26Cl2N4O — CID 52994941

IUPAC1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
SMILESCCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-5-20(6-2)11-12-21-15-9-7-8-10-16(15)22-17(14(4)23)13(3)19-18(21)22;;/h7-10H,5-6,11-12H2,1-4H3;2*1H
InChIKeyNPZSBHYOQCYCEA-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.99
Rot. Bonds6

About 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride

1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride (PubChem CID 52994941) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
PubChem CID52994941
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
SMILESCCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-5-20(6-2)11-12-21-15-9-7-8-10-16(15)22-17(14(4)23)13(3)19-18(21)22;;/h7-10H,5-6,11-12H2,1-4H3;2*1H
InChIKeyNPZSBHYOQCYCEA-UHFFFAOYSA-N
XLogP3.99
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.99
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-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride (CID 52994941) is 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride is CCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12.Cl.Cl.
What is the InChIKey of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride?
The InChIKey is NPZSBHYOQCYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-5-20(6-2)11-12-21-15-9-7-8-10-16(15)22-17(14(4)23)13(3)19-18(21)22;;/h7-10H,5-6,11-12H2,1-4H3;2*1H.
What are the key properties of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride?
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.99, 6 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-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 52994941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).