2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole

C25H24N4O2 — CID 146518339

IUPAC2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole
SMILESCCc1nc2c([nH]1)-c1ccc(-c3ccc4c(c3)OCc3[nH]c(C(C)C)nc3-4)cc1CO2
InChIInChI=1S/C25H24N4O2/c1-4-21-27-23-17-7-5-14(9-16(17)11-31-25(23)28-21)15-6-8-18-20(10-15)30-12-19-22(18)29-24(26-19)13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyGIQAVOBFSAYZAP-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.60
Rot. Bonds3

About 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole

2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole (PubChem CID 146518339) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole.

Molecular Properties

Compound Name2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole
PubChem CID146518339
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole
SMILESCCc1nc2c([nH]1)-c1ccc(-c3ccc4c(c3)OCc3[nH]c(C(C)C)nc3-4)cc1CO2
InChIInChI=1S/C25H24N4O2/c1-4-21-27-23-17-7-5-14(9-16(17)11-31-25(23)28-21)15-6-8-18-20(10-15)30-12-19-22(18)29-24(26-19)13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyGIQAVOBFSAYZAP-UHFFFAOYSA-N
XLogP5.60
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole?
The IUPAC name of 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole (CID 146518339) is 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole.
What is the SMILES notation for 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole?
The canonical SMILES for 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole is CCc1nc2c([nH]1)-c1ccc(-c3ccc4c(c3)OCc3[nH]c(C(C)C)nc3-4)cc1CO2.
What is the InChIKey of 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole?
The InChIKey is GIQAVOBFSAYZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-4-21-27-23-17-7-5-14(9-16(17)11-31-25(23)28-21)15-6-8-18-20(10-15)30-12-19-22(18)29-24(26-19)13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole?
2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole has a molecular weight of 412.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole is sourced from PubChem (CID 146518339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).