1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone

C24H31N3O2 — CID 25957

IUPAC1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone
SMILESCCOc1ccc(Cc2nc3cc(C(C)=O)ccc3n2CCN(CC)CC)cc1
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)14-15-27-23-13-10-20(18(4)28)17-22(23)25-24(27)16-19-8-11-21(12-9-19)29-7-3/h8-13,17H,5-7,14-16H2,1-4H3
InChIKeyCFGBPNSLTKLAKK-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.57
Rot. Bonds10

About 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone

1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone (PubChem CID 25957) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone
PubChem CID25957
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone
SMILESCCOc1ccc(Cc2nc3cc(C(C)=O)ccc3n2CCN(CC)CC)cc1
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)14-15-27-23-13-10-20(18(4)28)17-22(23)25-24(27)16-19-8-11-21(12-9-19)29-7-3/h8-13,17H,5-7,14-16H2,1-4H3
InChIKeyCFGBPNSLTKLAKK-UHFFFAOYSA-N
XLogP4.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone (CID 25957) is 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone is CCOc1ccc(Cc2nc3cc(C(C)=O)ccc3n2CCN(CC)CC)cc1.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone?
The InChIKey is CFGBPNSLTKLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-26(6-2)14-15-27-23-13-10-20(18(4)28)17-22(23)25-24(27)16-19-8-11-21(12-9-19)29-7-3/h8-13,17H,5-7,14-16H2,1-4H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone?
1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone has a molecular weight of 393.53 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone is sourced from PubChem (CID 25957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).