CID 174067474

C22H20BN3O — CID 174067474

IUPAC—
SMILES[B]C(C)(C)N1c2ncccc2N(c2cccc3c2oc2ccccc23)C1C
InChIInChI=1S/C22H20BN3O/c1-14-25(18-11-7-13-24-21(18)26(14)22(2,3)23)17-10-6-9-16-15-8-4-5-12-19(15)27-20(16)17/h4-14H,1-3H3
InChIKeyGFOHXJJRJSLRTI-UHFFFAOYSA-N
MW353.23 g/mol
LogP5.19
Rot. Bonds2

About CID 174067474

CID 174067474 (PubChem CID 174067474) has the molecular formula C22H20BN3O and a molecular weight of 353.23 g/mol.

Molecular Properties

Compound NameCID 174067474
PubChem CID174067474
Molecular FormulaC22H20BN3O
Molecular Weight353.23 g/mol
Exact Mass353.17
IUPAC Name—
SMILES[B]C(C)(C)N1c2ncccc2N(c2cccc3c2oc2ccccc23)C1C
InChIInChI=1S/C22H20BN3O/c1-14-25(18-11-7-13-24-21(18)26(14)22(2,3)23)17-10-6-9-16-15-8-4-5-12-19(15)27-20(16)17/h4-14H,1-3H3
InChIKeyGFOHXJJRJSLRTI-UHFFFAOYSA-N
XLogP5.19
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.23
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-dibenzofuran-4-yl-2-methyl-1,2-dihydrobenzimidazole
CID 137490049
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
bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);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 162296576
bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine
CID 162301887
methane;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;bis(2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine);2-methyl-3-(3-methyldibenzofuran-4-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 162269247
(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
CID 134371464
1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine;2-methyl-3-(2-methylphenyl)-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine
CID 162296740
1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazine;bis(2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine);2-methyl-3-(2-methylphenyl)-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162296739
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
8-(3-tert-butyl-2-methyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296936
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
CID 140884046
CID 140884046

Frequently Asked Questions

What is the IUPAC name of CID 174067474?
The IUPAC name of CID 174067474 (CID 174067474) is not available.
What is the SMILES notation for CID 174067474?
The canonical SMILES for CID 174067474 is [B]C(C)(C)N1c2ncccc2N(c2cccc3c2oc2ccccc23)C1C.
What is the InChIKey of CID 174067474?
The InChIKey is GFOHXJJRJSLRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BN3O/c1-14-25(18-11-7-13-24-21(18)26(14)22(2,3)23)17-10-6-9-16-15-8-4-5-12-19(15)27-20(16)17/h4-14H,1-3H3.
What are the key properties of CID 174067474?
CID 174067474 has a molecular weight of 353.23 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174067474 is sourced from PubChem (CID 174067474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).