ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline

C95H142N18 — CID 167664016

IUPACethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=Nc2cnccc2C1.CC(C)C1=Nc2ncccc2C1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2ccncc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2[nH]1
InChIInChI=1S/C12H13N.C11H13N.2C10H12N2.4C9H11N3.8C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-6-12-4-3-10-5-9(12)11-8;2*1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;8*1-2/h3-9H,1-2H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H,11,12);3-7H,1-2H3;8*1-2H3
InChIKeySJHAMIWQWJEQMK-UHFFFAOYSA-N
MW1536.31 g/mol
LogP27.46
Rot. Bonds8

About ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline

ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline (PubChem CID 167664016) has the molecular formula C95H142N18 and a molecular weight of 1536.31 g/mol. Its IUPAC name is ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline.

Molecular Properties

Compound Nameethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline
PubChem CID167664016
Molecular FormulaC95H142N18
Molecular Weight1536.31 g/mol
Exact Mass1535.17
IUPAC Nameethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=Nc2cnccc2C1.CC(C)C1=Nc2ncccc2C1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2ccncc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2[nH]1
InChIInChI=1S/C12H13N.C11H13N.2C10H12N2.4C9H11N3.8C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-6-12-4-3-10-5-9(12)11-8;2*1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;8*1-2/h3-9H,1-2H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H,11,12);3-7H,1-2H3;8*1-2H3
InChIKeySJHAMIWQWJEQMK-UHFFFAOYSA-N
XLogP27.46
TPSA222.70 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.31
LogP ≤ 527.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline with MolForge

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Related Compounds

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157370607
2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-indole;tris(2,6-di(propan-2-yl)-3H-indole)
CID 159570245
2,6-di(propan-2-yl)-1H-benzimidazole;bis(2,6-di(propan-2-yl)-1H-indole);bis(2,6-di(propan-2-yl)-3H-indole);methane
CID 161336227
cumene;methane;1-methyl-2-propan-2-ylbenzimidazole;bis(2-propan-2-yl-1H-benzimidazole);bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylpyrazine;tetrakis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;tris(2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine)
CID 160848703
2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 160822998
bis(6-tert-butyl-2-propan-2-yl-3H-indole);2,6-ditert-butyl-3H-indole;bis(2,6-di(propan-2-yl)-1H-benzimidazole);tris(2,6-di(propan-2-yl)-1H-indole)
CID 158523423
ethane;2-propan-2-ylquinoline
CID 142538504
2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole
CID 58566180
2-propan-2-yl-1H-benzimidazole
CID 22121
2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;bis(3-propan-2-ylquinoline);6-propan-2-ylquinoline;2-propan-2-ylthiophene
CID 158834837
methane;2-propan-2-ylquinoline
CID 161334581
bis(2,6-ditert-butyl-3H-indole);bis(2,6-di(propan-2-yl)-1H-benzimidazole);2,6-di(propan-2-yl)-1H-indole
CID 161140157

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline?
The IUPAC name of ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline (CID 167664016) is ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline.
What is the SMILES notation for ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline?
The canonical SMILES for ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=Nc2cnccc2C1.CC(C)C1=Nc2ncccc2C1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2ccncc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2[nH]1.
What is the InChIKey of ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline?
The InChIKey is SJHAMIWQWJEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H13N.2C10H12N2.4C9H11N3.8C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-6-12-4-3-10-5-9(12)11-8;2*1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;8*1-2/h3-9H,1-2H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H,11,12);3-7H,1-2H3;8*1-2H3.
What are the key properties of ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline?
ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline has a molecular weight of 1536.31 g/mol, XLogP of 27.46, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline is sourced from PubChem (CID 167664016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).