4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one

C22H19NO3 — CID 138676583

IUPAC4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one
SMILESO=C1CCC(N(c2cc3ccccc3o2)c2cc3ccccc3o2)CC1
InChIInChI=1S/C22H19NO3/c24-18-11-9-17(10-12-18)23(21-13-15-5-1-3-7-19(15)25-21)22-14-16-6-2-4-8-20(16)26-22/h1-8,13-14,17H,9-12H2
InChIKeySIDZZDLGBUWITL-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.83
Rot. Bonds3

About 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one

4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one (PubChem CID 138676583) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one
PubChem CID138676583
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one
SMILESO=C1CCC(N(c2cc3ccccc3o2)c2cc3ccccc3o2)CC1
InChIInChI=1S/C22H19NO3/c24-18-11-9-17(10-12-18)23(21-13-15-5-1-3-7-19(15)25-21)22-14-16-6-2-4-8-20(16)26-22/h1-8,13-14,17H,9-12H2
InChIKeySIDZZDLGBUWITL-UHFFFAOYSA-N
XLogP5.83
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
2-cyclopropyl-1-benzofuran
CID 12528043
4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
CID 117039753
4-[bis(1H-benzimidazol-2-yl)amino]cyclohexan-1-one
CID 138676470
4-[bis(1H-pyrrol-2-yl)amino]cyclohexan-1-one
CID 138676487
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
2-(1-benzofuran-2-yl)-1-benzofuran-3-one
CID 174996642
3-piperidin-4-ylchromen-2-one
CID 118037159
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one
CID 118036884

Frequently Asked Questions

What is the IUPAC name of 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one (CID 138676583) is 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one is O=C1CCC(N(c2cc3ccccc3o2)c2cc3ccccc3o2)CC1.
What is the InChIKey of 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one?
The InChIKey is SIDZZDLGBUWITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-18-11-9-17(10-12-18)23(21-13-15-5-1-3-7-19(15)25-21)22-14-16-6-2-4-8-20(16)26-22/h1-8,13-14,17H,9-12H2.
What are the key properties of 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one?
4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one has a molecular weight of 345.40 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(1-benzofuran-2-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 138676583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).