4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one

C16H21N3O2 — CID 46411383

IUPAC4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
SMILESCC1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C16H21N3O2/c1-12-11-19(9-10-21-12)16(20)8-4-7-15-17-13-5-2-3-6-14(13)18-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)
InChIKeyQLMMXONWECYGJV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one

4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one (PubChem CID 46411383) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
PubChem CID46411383
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
SMILESCC1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C16H21N3O2/c1-12-11-19(9-10-21-12)16(20)8-4-7-15-17-13-5-2-3-6-14(13)18-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)
InChIKeyQLMMXONWECYGJV-UHFFFAOYSA-N
XLogP2.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 46435051
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 95455767
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
3-[6-(2-methylmorpholin-4-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 46674519
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
CID 46410513

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one (CID 46411383) is 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one is CC1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one?
The InChIKey is QLMMXONWECYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-11-19(9-10-21-12)16(20)8-4-7-15-17-13-5-2-3-6-14(13)18-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one?
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 46411383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).