tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C151H277N9O2 — CID 157222075

IUPACtert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1=Cc2ccccc2C1.CC(C)C1=NC2C=CC=CC2=N1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.CC(C)c1ncccn1
InChIInChI=1S/C13H14.C12H13N.C12H14.C11H11NO2.C11H15N.C10H16N2.C10H12N2.C10H14.C10H20.C9H18.C7H10N2.12C2H6.12CH4/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-8-4-3-5-9-7;12*1-2;;;;;;;;;;;;/h3-10H,1-2H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;12*1-2H3;12*1H4
InChIKeyATCMYFQNYMDXNM-UHFFFAOYSA-N
MW2250.94 g/mol
LogP50.59
Rot. Bonds10

About tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 157222075) has the molecular formula C151H277N9O2 and a molecular weight of 2250.94 g/mol. Its IUPAC name is tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID157222075
Molecular FormulaC151H277N9O2
Molecular Weight2250.94 g/mol
Exact Mass2249.19
IUPAC Nametert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1=Cc2ccccc2C1.CC(C)C1=NC2C=CC=CC2=N1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.CC(C)c1ncccn1
InChIInChI=1S/C13H14.C12H13N.C12H14.C11H11NO2.C11H15N.C10H16N2.C10H12N2.C10H14.C10H20.C9H18.C7H10N2.12C2H6.12CH4/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-8-4-3-5-9-7;12*1-2;;;;;;;;;;;;/h3-10H,1-2H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;12*1-2H3;12*1H4
InChIKeyATCMYFQNYMDXNM-UHFFFAOYSA-N
XLogP50.59
TPSA130.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.94
LogP ≤ 550.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
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2-[2-(6-Methyl-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 155527562
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-2-methylbenzamide
CID 76902375
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-isoquinolin-3-ylbenzamide
CID 77107655
(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide
CID 166594731
[4-[2-[3-(2-Methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone
CID 54580081
2-[2-(6-Methyl-3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 155549412
[4-(3-Isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 164612461
2-[3-(7-Methylindolo[3,2-b]quinoxalin-6-yl)propyl]isoindole-1,3-dione
CID 1993618
6-{1-[6-(4-[(3s)-3-Fluoropyrrolidin-1-yl]carbonylphenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl}quinoline
CID 25144110
2-Fluoro-n-methyl-n-2-[methyl(pyridin-2-yl)amino]ethyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 59420896
2-fluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 59420908

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 157222075) is tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1=Cc2ccccc2C1.CC(C)C1=NC2C=CC=CC2=N1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.CC(C)c1ncccn1.
What is the InChIKey of tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is ATCMYFQNYMDXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H13N.C12H14.C11H11NO2.C11H15N.C10H16N2.C10H12N2.C10H14.C10H20.C9H18.C7H10N2.12C2H6.12CH4/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-8-4-3-5-9-7;12*1-2;;;;;;;;;;;;/h3-10H,1-2H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;12*1-2H3;12*1H4.
What are the key properties of tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 2250.94 g/mol, XLogP of 50.59, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;ethane;methane;2-propan-2-yl-3aH-benzimidazole;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 157222075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).