1-(1-benzhydrylindol-5-yl)ethanone

C23H19NO — CID 10087707

IUPAC1-(1-benzhydrylindol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H19NO/c1-17(25)20-12-13-22-21(16-20)14-15-24(22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,23H,1H3
InChIKeyXDPLPQSKPAOHOD-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.48
Rot. Bonds4

About 1-(1-benzhydrylindol-5-yl)ethanone

1-(1-benzhydrylindol-5-yl)ethanone (PubChem CID 10087707) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(1-benzhydrylindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzhydrylindol-5-yl)ethanone
PubChem CID10087707
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name1-(1-benzhydrylindol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H19NO/c1-17(25)20-12-13-22-21(16-20)14-15-24(22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,23H,1H3
InChIKeyXDPLPQSKPAOHOD-UHFFFAOYSA-N
XLogP5.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[1-[(3-methylphenyl)-phenylmethyl]indol-5-yl]but-2-enoic acid
CID 19742033
(E)-3-[1-[bis(4-chlorophenyl)methyl]indol-5-yl]but-2-enoic acid
CID 10433143
4-[1-[(4-methoxyphenyl)-phenylmethyl]indol-5-yl]-3-methylbut-2-enoic acid
CID 67754291
3-methyl-4-[1-[phenyl(pyridin-3-yl)methyl]indol-5-yl]but-2-enoic acid
CID 67754225
3-methyl-4-[1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]but-2-enoic acid
CID 67753810
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
ethyl 4-[2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-6-fluorophenoxy]butanoate
CID 11758142
4-[2-[[(E)-3-[1-[(2-fluorophenyl)-phenylmethyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
CID 67754258
1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride
CID 23447945
N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 58837417
4-[2-[methyl-[(E)-3-[1-(1-phenylethyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
CID 10368575
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylindol-5-yl)ethanone?
The IUPAC name of 1-(1-benzhydrylindol-5-yl)ethanone (CID 10087707) is 1-(1-benzhydrylindol-5-yl)ethanone.
What is the SMILES notation for 1-(1-benzhydrylindol-5-yl)ethanone?
The canonical SMILES for 1-(1-benzhydrylindol-5-yl)ethanone is CC(=O)c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(1-benzhydrylindol-5-yl)ethanone?
The InChIKey is XDPLPQSKPAOHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-17(25)20-12-13-22-21(16-20)14-15-24(22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,23H,1H3.
What are the key properties of 1-(1-benzhydrylindol-5-yl)ethanone?
1-(1-benzhydrylindol-5-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylindol-5-yl)ethanone is sourced from PubChem (CID 10087707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).