2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole

C25H18N4OS — CID 118569235

IUPAC2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCc1nc2c([nH]1)COc1cc(-c3ccc4c(c3)c3sccc3c3nc(C)[nH]c43)ccc1-2
InChIInChI=1S/C25H18N4OS/c1-12-26-20-11-30-21-10-15(4-6-17(21)22(20)27-12)14-3-5-16-19(9-14)25-18(7-8-31-25)24-23(16)28-13(2)29-24/h3-10H,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyDBMKLQZIGOJHEE-UHFFFAOYSA-N
MW422.51 g/mol
LogP6.50
Rot. Bonds1

About 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole

2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole (PubChem CID 118569235) has the molecular formula C25H18N4OS and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole.

Molecular Properties

Compound Name2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole
PubChem CID118569235
Molecular FormulaC25H18N4OS
Molecular Weight422.51 g/mol
Exact Mass422.12
IUPAC Name2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCc1nc2c([nH]1)COc1cc(-c3ccc4c(c3)c3sccc3c3nc(C)[nH]c43)ccc1-2
InChIInChI=1S/C25H18N4OS/c1-12-26-20-11-30-21-10-15(4-6-17(21)22(20)27-12)14-3-5-16-19(9-14)25-18(7-8-31-25)24-23(16)28-13(2)29-24/h3-10H,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyDBMKLQZIGOJHEE-UHFFFAOYSA-N
XLogP6.50
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The IUPAC name of 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole (CID 118569235) is 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole.
What is the SMILES notation for 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The canonical SMILES for 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole is Cc1nc2c([nH]1)COc1cc(-c3ccc4c(c3)c3sccc3c3nc(C)[nH]c43)ccc1-2.
What is the InChIKey of 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
The InChIKey is DBMKLQZIGOJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4OS/c1-12-26-20-11-30-21-10-15(4-6-17(21)22(20)27-12)14-3-5-16-19(9-14)25-18(7-8-31-25)24-23(16)28-13(2)29-24/h3-10H,11H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole?
2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole has a molecular weight of 422.51 g/mol, XLogP of 6.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-methyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-3,4-dihydrochromeno[3,4-d]imidazole is sourced from PubChem (CID 118569235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).