CID 140884078

C22H18N2O — CID 140884078

IUPAC—
SMILES[2H]C([2H])([2H])N1[C]([CH2])N(c2c(C)ccc3c2oc2ccccc23)c2ccccc21
InChIInChI=1S/C22H18N2O/c1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)24/h4-13H,2H2,1,3H3/i3D3
InChIKeyRXWYKRFLSKCNCD-HPRDVNIFSA-N
MW329.42 g/mol
LogP5.81
Rot. Bonds2

About CID 140884078

CID 140884078 (PubChem CID 140884078) has the molecular formula C22H18N2O and a molecular weight of 329.42 g/mol.

Molecular Properties

Compound NameCID 140884078
PubChem CID140884078
Molecular FormulaC22H18N2O
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name—
SMILES[2H]C([2H])([2H])N1[C]([CH2])N(c2c(C)ccc3c2oc2ccccc23)c2ccccc21
InChIInChI=1S/C22H18N2O/c1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)24/h4-13H,2H2,1,3H3/i3D3
InChIKeyRXWYKRFLSKCNCD-HPRDVNIFSA-N
XLogP5.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 140884046
CID 140884046
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
CID 167400605
CID 167400605
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
CID 140884093
CID 140884093
bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 159836234
bis(3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine
CID 162296577
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
(2S)-4-isocyano-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 153430535

Frequently Asked Questions

What is the IUPAC name of CID 140884078?
The IUPAC name of CID 140884078 (CID 140884078) is not available.
What is the SMILES notation for CID 140884078?
The canonical SMILES for CID 140884078 is [2H]C([2H])([2H])N1[C]([CH2])N(c2c(C)ccc3c2oc2ccccc23)c2ccccc21.
What is the InChIKey of CID 140884078?
The InChIKey is RXWYKRFLSKCNCD-HPRDVNIFSA-N. The full InChI is InChI=1S/C22H18N2O/c1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)24/h4-13H,2H2,1,3H3/i3D3.
What are the key properties of CID 140884078?
CID 140884078 has a molecular weight of 329.42 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140884078 is sourced from PubChem (CID 140884078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).