ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C138H144N20O5S5 — CID 159256577

IUPACethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2cc3nc(-c4ccccc4)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4ccccc4)oc3cc2o1.Cc1nc2cc3nc(-c4ccccc4)sc3cc2s1.Cc1nc2cc3oc(-c4ccccc4)nc3cc2o1.Cc1nc2cc3sc(-c4ccccc4)nc3cc2s1.Cc1nc2ccc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1
InChIInChI=1S/C21H16N4.C15H12N4.2C15H10N2O2.2C15H10N2S2.C8H8N2.C8H7NO.C8H7NS.9C2H6/c1-13-22-17-9-7-15(11-19(17)23-13)16-8-10-18-20(12-16)25-21(24-18)14-5-3-2-4-6-14;1-9-16-11-7-13-14(8-12(11)17-9)19-15(18-13)10-5-3-2-4-6-10;1-9-16-11-7-14-12(8-13(11)18-9)17-15(19-14)10-5-3-2-4-6-10;1-9-16-11-7-12-14(8-13(11)18-9)19-15(17-12)10-5-3-2-4-6-10;1-9-16-11-7-14-12(8-13(11)18-9)17-15(19-14)10-5-3-2-4-6-10;1-9-16-11-7-12-14(8-13(11)18-9)19-15(17-12)10-5-3-2-4-6-10;3*1-6-9-7-4-2-3-5-8(7)10-6;9*1-2/h2-12H,1H3,(H,22,23)(H,24,25);2-8H,1H3,(H,16,17)(H,18,19);4*2-8H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;9*1-2H3
InChIKeyKVYWZNLALXVNOZ-UHFFFAOYSA-N
MW2323.14 g/mol
LogP42.00
Rot. Bonds7

About ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 159256577) has the molecular formula C138H144N20O5S5 and a molecular weight of 2323.14 g/mol. Its IUPAC name is ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Nameethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID159256577
Molecular FormulaC138H144N20O5S5
Molecular Weight2323.14 g/mol
Exact Mass2321.02
IUPAC Nameethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2cc3nc(-c4ccccc4)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4ccccc4)oc3cc2o1.Cc1nc2cc3nc(-c4ccccc4)sc3cc2s1.Cc1nc2cc3oc(-c4ccccc4)nc3cc2o1.Cc1nc2cc3sc(-c4ccccc4)nc3cc2s1.Cc1nc2ccc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1
InChIInChI=1S/C21H16N4.C15H12N4.2C15H10N2O2.2C15H10N2S2.C8H8N2.C8H7NO.C8H7NS.9C2H6/c1-13-22-17-9-7-15(11-19(17)23-13)16-8-10-18-20(12-16)25-21(24-18)14-5-3-2-4-6-14;1-9-16-11-7-13-14(8-12(11)17-9)19-15(18-13)10-5-3-2-4-6-10;1-9-16-11-7-14-12(8-13(11)18-9)17-15(19-14)10-5-3-2-4-6-10;1-9-16-11-7-12-14(8-13(11)18-9)19-15(17-12)10-5-3-2-4-6-10;1-9-16-11-7-14-12(8-13(11)18-9)17-15(19-14)10-5-3-2-4-6-10;1-9-16-11-7-12-14(8-13(11)18-9)19-15(17-12)10-5-3-2-4-6-10;3*1-6-9-7-4-2-3-5-8(7)10-6;9*1-2/h2-12H,1H3,(H,22,23)(H,24,25);2-8H,1H3,(H,16,17)(H,18,19);4*2-8H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;9*1-2H3
InChIKeyKVYWZNLALXVNOZ-UHFFFAOYSA-N
XLogP42.00
TPSA338.00 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds7
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.14
LogP ≤ 542.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 159256577) is ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2cc3nc(-c4ccccc4)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4ccccc4)oc3cc2o1.Cc1nc2cc3nc(-c4ccccc4)sc3cc2s1.Cc1nc2cc3oc(-c4ccccc4)nc3cc2o1.Cc1nc2cc3sc(-c4ccccc4)nc3cc2s1.Cc1nc2ccc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.
What is the InChIKey of ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is KVYWZNLALXVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4.C15H12N4.2C15H10N2O2.2C15H10N2S2.C8H8N2.C8H7NO.C8H7NS.9C2H6/c1-13-22-17-9-7-15(11-19(17)23-13)16-8-10-18-20(12-16)25-21(24-18)14-5-3-2-4-6-14;1-9-16-11-7-13-14(8-12(11)17-9)19-15(18-13)10-5-3-2-4-6-10;1-9-16-11-7-14-12(8-13(11)18-9)17-15(19-14)10-5-3-2-4-6-10;1-9-16-11-7-12-14(8-13(11)18-9)19-15(17-12)10-5-3-2-4-6-10;1-9-16-11-7-14-12(8-13(11)18-9)17-15(19-14)10-5-3-2-4-6-10;1-9-16-11-7-12-14(8-13(11)18-9)19-15(17-12)10-5-3-2-4-6-10;3*1-6-9-7-4-2-3-5-8(7)10-6;9*1-2/h2-12H,1H3,(H,22,23)(H,24,25);2-8H,1H3,(H,16,17)(H,18,19);4*2-8H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;9*1-2H3.
What are the key properties of ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 2323.14 g/mol, XLogP of 42.00, 7 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-6-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-methyl-2-phenyl-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;6-methyl-2-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 159256577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).