(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile

C18H15N3O — CID 122433178

IUPAC(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile
SMILESC[C@H]1N(C)C(C#N)=CN1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H15N3O/c1-12-20(2)14(10-19)11-21(12)13-7-8-16-15-5-3-4-6-17(15)22-18(16)9-13/h3-9,11-12H,1-2H3/t12-/m0/s1
InChIKeyOXRDCTASLUAKDC-LBPRGKRZSA-N
MW289.34 g/mol
LogP4.05
Rot. Bonds1

About (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile

(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile (PubChem CID 122433178) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile
PubChem CID122433178
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile
SMILESC[C@H]1N(C)C(C#N)=CN1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H15N3O/c1-12-20(2)14(10-19)11-21(12)13-7-8-16-15-5-3-4-6-17(15)22-18(16)9-13/h3-9,11-12H,1-2H3/t12-/m0/s1
InChIKeyOXRDCTASLUAKDC-LBPRGKRZSA-N
XLogP4.05
TPSA43.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
CID 122433252
(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 27904582
dibenzofuran;hydrate
CID 70610865
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
dibenzofuran;hydrofluoride
CID 158307405
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434

Frequently Asked Questions

What is the IUPAC name of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile?
The IUPAC name of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile (CID 122433178) is (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile.
What is the SMILES notation for (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile?
The canonical SMILES for (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile is C[C@H]1N(C)C(C#N)=CN1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile?
The InChIKey is OXRDCTASLUAKDC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-20(2)14(10-19)11-21(12)13-7-8-16-15-5-3-4-6-17(15)22-18(16)9-13/h3-9,11-12H,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile?
(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile is sourced from PubChem (CID 122433178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).