methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline

C136H160N16O2S2 — CID 158290037

IUPACmethane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
SMILESC.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2n1C.CC(C)Cc1nc2ccccc2o1.CC(C)Cc1nc2ccccc2s1.CC(C)c1ccc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12
InChIInChI=1S/C14H16.C13H14.C12H16N2.C12H13N.2C11H12N2.C11H14N2.C11H13NO.C11H13NS.C10H11NO.C10H11NS.C9H11N3.CH4/c1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)8-12-13-10-6-4-5-7-11(10)14(12)3;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;3*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;/h3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;4-7,9H,8H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);2*3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);1H4
InChIKeyGLFXNRUBJIQDNY-UHFFFAOYSA-N
MW2115.02 g/mol
LogP38.01
Rot. Bonds17

About methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline

methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline (PubChem CID 158290037) has the molecular formula C136H160N16O2S2 and a molecular weight of 2115.02 g/mol. Its IUPAC name is methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline.

Molecular Properties

Compound Namemethane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
PubChem CID158290037
Molecular FormulaC136H160N16O2S2
Molecular Weight2115.02 g/mol
Exact Mass2113.24
IUPAC Namemethane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
SMILESC.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2n1C.CC(C)Cc1nc2ccccc2o1.CC(C)Cc1nc2ccccc2s1.CC(C)c1ccc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12
InChIInChI=1S/C14H16.C13H14.C12H16N2.C12H13N.2C11H12N2.C11H14N2.C11H13NO.C11H13NS.C10H11NO.C10H11NS.C9H11N3.CH4/c1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)8-12-13-10-6-4-5-7-11(10)14(12)3;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;3*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;/h3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;4-7,9H,8H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);2*3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);1H4
InChIKeyGLFXNRUBJIQDNY-UHFFFAOYSA-N
XLogP38.01
TPSA230.36 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.02
LogP ≤ 538.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
The IUPAC name of methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline (CID 158290037) is methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline.
What is the SMILES notation for methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
The canonical SMILES for methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline is C.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2n1C.CC(C)Cc1nc2ccccc2o1.CC(C)Cc1nc2ccccc2s1.CC(C)c1ccc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12.
What is the InChIKey of methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
The InChIKey is GLFXNRUBJIQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H14.C12H16N2.C12H13N.2C11H12N2.C11H14N2.C11H13NO.C11H13NS.C10H11NO.C10H11NS.C9H11N3.CH4/c1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)8-12-13-10-6-4-5-7-11(10)14(12)3;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;3*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;/h3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;4-7,9H,8H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);2*3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);1H4.
What are the key properties of methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline?
methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline has a molecular weight of 2115.02 g/mol, XLogP of 38.01, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-(2-methylpropyl)benzimidazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)naphthalene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoxaline is sourced from PubChem (CID 158290037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).