1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

C17H22N2O2 — CID 103167962

IUPAC1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C17H22N2O2/c1-3-21-14-9-12(10-14)8-13(20)11-17-18-15-6-4-5-7-16(15)19(17)2/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyPEXXIKHKQCNDNN-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.89
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 103167962) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID103167962
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C17H22N2O2/c1-3-21-14-9-12(10-14)8-13(20)11-17-18-15-6-4-5-7-16(15)19(17)2/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyPEXXIKHKQCNDNN-UHFFFAOYSA-N
XLogP2.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
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1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one (CID 103167962) is 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one is CCOC1CC(CC(=O)Cc2nc3ccccc3n2C)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is PEXXIKHKQCNDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-21-14-9-12(10-14)8-13(20)11-17-18-15-6-4-5-7-16(15)19(17)2/h4-7,12,14H,3,8-11H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 103167962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).