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

C18H24N4O — CID 3907670

IUPAC1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12
InChIInChI=1S/C18H24N4O/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
InChIKeyDOUUUERNMPTHEU-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.14
Rot. Bonds6

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

1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone (PubChem CID 3907670) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone
PubChem CID3907670
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12
InChIInChI=1S/C18H24N4O/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
InChIKeyDOUUUERNMPTHEU-UHFFFAOYSA-N
XLogP3.14
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
1-[[1-(3-Oxobutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 11326302
(1E,4E)-1,5-bis(1-methylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 87055085
(1E,4E)-1,5-bis(1-butan-2-ylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 87055086
(1E,4E)-1,5-bis(1-pentan-3-ylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 87055087
(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 122177412
(1E,4E)-1,5-bis(1-propylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 122177413
(1E,4E)-1,5-bis(1-butylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 122177469
(1E,4E)-1,5-bis(1-pentylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 122177470
(1E,4E)-1,5-bis(1-hexylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 122177471
(1E,4E)-1,5-bis(1-propan-2-ylbenzimidazol-2-yl)penta-1,4-dien-3-one
CID 122177473
(1E,4E)-1,5-bis[1-(2-methylpropyl)benzimidazol-2-yl]penta-1,4-dien-3-one
CID 122177474

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone (CID 3907670) is 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone is CCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12.
What is the InChIKey of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone?
The InChIKey is DOUUUERNMPTHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/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.
What are the key properties of 1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone?
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 3.14, 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 is sourced from PubChem (CID 3907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).