1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one

C15H19N3O2 — CID 116586248

IUPAC1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
SMILESCn1c(CC(=O)CC2CNCCO2)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-18-14-5-3-2-4-13(14)17-15(18)9-11(19)8-12-10-16-6-7-20-12/h2-5,12,16H,6-10H2,1H3
InChIKeyVMFCHSRQFPYFIO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.06
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one

1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one (PubChem CID 116586248) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
PubChem CID116586248
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
SMILESCn1c(CC(=O)CC2CNCCO2)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-18-14-5-3-2-4-13(14)17-15(18)9-11(19)8-12-10-16-6-7-20-12/h2-5,12,16H,6-10H2,1H3
InChIKeyVMFCHSRQFPYFIO-UHFFFAOYSA-N
XLogP1.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one (CID 116586248) is 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one is Cn1c(CC(=O)CC2CNCCO2)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one?
The InChIKey is VMFCHSRQFPYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-14-5-3-2-4-13(14)17-15(18)9-11(19)8-12-10-16-6-7-20-12/h2-5,12,16H,6-10H2,1H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one?
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one is sourced from PubChem (CID 116586248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).