2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole

C19H20N4 — CID 67992792

IUPAC2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole
SMILESCCc1nc2cc3ccc(-c4cnc(C(C)C)[nH]4)cc3cc2[nH]1
InChIInChI=1S/C19H20N4/c1-4-18-21-15-8-12-5-6-13(7-14(12)9-16(15)22-18)17-10-20-19(23-17)11(2)3/h5-11H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLDOFSJSGLMLSOT-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.79
Rot. Bonds3

About 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole

2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole (PubChem CID 67992792) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole
PubChem CID67992792
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole
SMILESCCc1nc2cc3ccc(-c4cnc(C(C)C)[nH]4)cc3cc2[nH]1
InChIInChI=1S/C19H20N4/c1-4-18-21-15-8-12-5-6-13(7-14(12)9-16(15)22-18)17-10-20-19(23-17)11(2)3/h5-11H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLDOFSJSGLMLSOT-UHFFFAOYSA-N
XLogP4.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole?
The IUPAC name of 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole (CID 67992792) is 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole.
What is the SMILES notation for 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole?
The canonical SMILES for 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole is CCc1nc2cc3ccc(-c4cnc(C(C)C)[nH]4)cc3cc2[nH]1.
What is the InChIKey of 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole?
The InChIKey is LDOFSJSGLMLSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-4-18-21-15-8-12-5-6-13(7-14(12)9-16(15)22-18)17-10-20-19(23-17)11(2)3/h5-11H,4H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole?
2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole has a molecular weight of 304.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-propan-2-yl-1H-imidazol-5-yl)-3H-benzo[f]benzimidazole is sourced from PubChem (CID 67992792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).