2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one

C23H22N4O2 — CID 119064993

IUPAC2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one
SMILESCC(=O)c1cn(C(C)C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c2ccccc12
InChIInChI=1S/C23H22N4O2/c1-14(27-13-18(15(2)28)17-7-3-6-10-21(17)27)23(29)26-11-16(12-26)22-24-19-8-4-5-9-20(19)25-22/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,25)
InChIKeyVZXYHFBECDAUAI-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one

2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one (PubChem CID 119064993) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one
PubChem CID119064993
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one
SMILESCC(=O)c1cn(C(C)C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c2ccccc12
InChIInChI=1S/C23H22N4O2/c1-14(27-13-18(15(2)28)17-7-3-6-10-21(17)27)23(29)26-11-16(12-26)22-24-19-8-4-5-9-20(19)25-22/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,25)
InChIKeyVZXYHFBECDAUAI-UHFFFAOYSA-N
XLogP3.91
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90650377
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90505719
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 77097531
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-tert-butylpyrrol-3-yl)methanone
CID 90651979

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one (CID 119064993) is 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one is CC(=O)c1cn(C(C)C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one?
The InChIKey is VZXYHFBECDAUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14(27-13-18(15(2)28)17-7-3-6-10-21(17)27)23(29)26-11-16(12-26)22-24-19-8-4-5-9-20(19)25-22/h3-10,13-14,16H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one?
2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one has a molecular weight of 386.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 119064993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).