2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium

C185H240N29O2ReS3- — CID 160713043

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium
SMILESCC.CC.CC.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cnc2ccncc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1nc2ccc(C(C)(C)C)nc2s1.Cn1c(C(C)(C)C)nc2ccccc21.[CH3-].[Re]
InChIInChI=1S/C13H15N.C12H16N2.3C12H14N2.C11H13N3.C11H14N2S.3C11H14N2.2C11H13NO.C11H13NS.C10H13N3.C10H12N2S.C9H13N.3C2H6.CH3.Re/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-11(2,3)10-7-13-8-4-5-12-6-9(8)14-10;1-7-12-8-5-6-9(11(2,3)4)13-10(8)14-7;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-9(2,3)8-6-4-5-7-10-8;3*1-2;;/h4-9H,1-3H3;5-8H,1-4H3;3*4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3*1-2H3;1H3;/q;;;;;;;;;;;;;;;;;;;-1;
InChIKeyLOBNNIZRODNNCH-UHFFFAOYSA-N
MW3184.56 g/mol
LogP49.69
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium (PubChem CID 160713043) has the molecular formula C185H240N29O2ReS3- and a molecular weight of 3184.56 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium
PubChem CID160713043
Molecular FormulaC185H240N29O2ReS3-
Molecular Weight3184.56 g/mol
Exact Mass3182.83
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium
SMILESCC.CC.CC.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cnc2ccncc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1nc2ccc(C(C)(C)C)nc2s1.Cn1c(C(C)(C)C)nc2ccccc21.[CH3-].[Re]
InChIInChI=1S/C13H15N.C12H16N2.3C12H14N2.C11H13N3.C11H14N2S.3C11H14N2.2C11H13NO.C11H13NS.C10H13N3.C10H12N2S.C9H13N.3C2H6.CH3.Re/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-11(2,3)10-7-13-8-4-5-12-6-9(8)14-10;1-7-12-8-5-6-9(11(2,3)4)13-10(8)14-7;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-9(2,3)8-6-4-5-7-10-8;3*1-2;;/h4-9H,1-3H3;5-8H,1-4H3;3*4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3*1-2H3;1H3;/q;;;;;;;;;;;;;;;;;;;-1;
InChIKeyLOBNNIZRODNNCH-UHFFFAOYSA-N
XLogP49.69
TPSA369.59 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003184.56
LogP ≤ 549.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium (CID 160713043) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium is CC.CC.CC.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cnc2ccncc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1nc2ccc(C(C)(C)C)nc2s1.Cn1c(C(C)(C)C)nc2ccccc21.[CH3-].[Re].
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium?
The InChIKey is LOBNNIZRODNNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H16N2.3C12H14N2.C11H13N3.C11H14N2S.3C11H14N2.2C11H13NO.C11H13NS.C10H13N3.C10H12N2S.C9H13N.3C2H6.CH3.Re/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-11(2,3)10-7-13-8-4-5-12-6-9(8)14-10;1-7-12-8-5-6-9(11(2,3)4)13-10(8)14-7;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-9(2,3)8-6-4-5-7-10-8;3*1-2;;/h4-9H,1-3H3;5-8H,1-4H3;3*4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3*1-2H3;1H3;/q;;;;;;;;;;;;;;;;;;;-1;.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium?
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium has a molecular weight of 3184.56 g/mol, XLogP of 49.69, 0 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium is sourced from PubChem (CID 160713043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).