(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

C27H24N2O — CID 6584318

IUPAC(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C27H24N2O/c1-26(2)23-9-5-6-10-24(23)29-17-25(30)28-27(26,29)14-13-18-11-12-22-20(15-18)16-19-7-3-4-8-21(19)22/h3-15H,16-17H2,1-2H3,(H,28,30)/b14-13+/t27-/m1/s1
InChIKeyDSZLDNLSRMILDY-FQFCXHBISA-N
MW392.50 g/mol
LogP4.89
Rot. Bonds2

About (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 6584318) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID6584318
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C27H24N2O/c1-26(2)23-9-5-6-10-24(23)29-17-25(30)28-27(26,29)14-13-18-11-12-22-20(15-18)16-19-7-3-4-8-21(19)22/h3-15H,16-17H2,1-2H3,(H,28,30)/b14-13+/t27-/m1/s1
InChIKeyDSZLDNLSRMILDY-FQFCXHBISA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR)-4,4-dimethyl-3a-[(E)-2-thiophen-2-ylethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 1274042
3a-[2-(2-chlorophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 3804565
(3aR)-3a-[2-(2-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 162877716
(3aS)-3a-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6570470
(3aR)-4,4-dimethyl-3a-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 7707369
(3aR)-3a-[(E)-2-(3-ethoxy-4-phenylmethoxyphenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 40872738
3a-[(E)-2-(3-ethoxy-4-pentoxyphenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6081637
(3aR)-3a-[(E)-2-(4-heptoxy-3-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 95371447
3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6225028
(3aS)-3a-[(E)-2-(1H-indol-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 2003217
3a-[2-(1H-indol-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 3553271
10,10-dimethyl-10a-[2-(4-phenylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 5202622

Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 6584318) is (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is DSZLDNLSRMILDY-FQFCXHBISA-N. The full InChI is InChI=1S/C27H24N2O/c1-26(2)23-9-5-6-10-24(23)29-17-25(30)28-27(26,29)14-13-18-11-12-22-20(15-18)16-19-7-3-4-8-21(19)22/h3-15H,16-17H2,1-2H3,(H,28,30)/b14-13+/t27-/m1/s1.
What are the key properties of (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 6584318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).