1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one

C15H17N3O3 — CID 135163730

IUPAC1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1
InChIInChI=1S/C15H17N3O3/c1-10(19)8-14-16-12-3-2-11(9-13(12)17-14)15(20)18-4-6-21-7-5-18/h2-3,9H,4-8H2,1H3,(H,16,17)
InChIKeyMRMMWUUTTDMOPO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.17
Rot. Bonds3

About 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one

1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one (PubChem CID 135163730) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
PubChem CID135163730
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1
InChIInChI=1S/C15H17N3O3/c1-10(19)8-14-16-12-3-2-11(9-13(12)17-14)15(20)18-4-6-21-7-5-18/h2-3,9H,4-8H2,1H3,(H,16,17)
InChIKeyMRMMWUUTTDMOPO-UHFFFAOYSA-N
XLogP1.17
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane
CID 143458137
1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one
CID 136727434
[(4R)-4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 97110069
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 145234818
[4-[(1S,2S)-2-hydroxycyclohexyl]piperazin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
CID 74236011
(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
[2-[1-(benzenesulfonyl)pyrrol-2-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 59785176
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289

Frequently Asked Questions

What is the IUPAC name of 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one?
The IUPAC name of 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one (CID 135163730) is 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one?
The canonical SMILES for 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one is CC(=O)Cc1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1.
What is the InChIKey of 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one?
The InChIKey is MRMMWUUTTDMOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(19)8-14-16-12-3-2-11(9-13(12)17-14)15(20)18-4-6-21-7-5-18/h2-3,9H,4-8H2,1H3,(H,16,17).
What are the key properties of 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one?
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one is sourced from PubChem (CID 135163730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).