(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile

C23H16N4O — CID 122433252

IUPAC(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
SMILESC[C@H]1N(C)c2c(C#N)cc(C#N)cc2N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H16N4O/c1-14-26(2)23-16(13-25)9-15(12-24)10-20(23)27(14)17-7-8-19-18-5-3-4-6-21(18)28-22(19)11-17/h3-11,14H,1-2H3/t14-/m0/s1
InChIKeyUMXIOUVLEUWHNC-AWEZNQCLSA-N
MW364.41 g/mol
LogP5.26
Rot. Bonds1

About (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile

(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile (PubChem CID 122433252) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile.

Molecular Properties

Compound Name(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
PubChem CID122433252
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
SMILESC[C@H]1N(C)c2c(C#N)cc(C#N)cc2N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H16N4O/c1-14-26(2)23-16(13-25)9-15(12-24)10-20(23)27(14)17-7-8-19-18-5-3-4-6-21(18)28-22(19)11-17/h3-11,14H,1-2H3/t14-/m0/s1
InChIKeyUMXIOUVLEUWHNC-AWEZNQCLSA-N
XLogP5.26
TPSA67.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile
CID 122433178
(2S)-1-(2,3-dimethylphenyl)-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
CID 122433579
(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile
CID 122433291
(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile
CID 122433363
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 134223661
(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile
CID 160726858
4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354641
(2S)-6-isocyano-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4-carbonitrile
CID 153430309
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143

Frequently Asked Questions

What is the IUPAC name of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile?
The IUPAC name of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile (CID 122433252) is (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile.
What is the SMILES notation for (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile?
The canonical SMILES for (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile is C[C@H]1N(C)c2c(C#N)cc(C#N)cc2N1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile?
The InChIKey is UMXIOUVLEUWHNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H16N4O/c1-14-26(2)23-16(13-25)9-15(12-24)10-20(23)27(14)17-7-8-19-18-5-3-4-6-21(18)28-22(19)11-17/h3-11,14H,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile?
(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile has a molecular weight of 364.41 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile is sourced from PubChem (CID 122433252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).