bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one

C75H91N9O3S — CID 157262557

IUPACbis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one
SMILESCC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1
InChIInChI=1S/C19H22N2O2.C12H15N.2C11H14N2.C11H13NO.C11H13NS/c1-19(2,3)13-10-16-15(17(11-13)23-4)12-20-18(22)21(16)14-8-6-5-7-9-14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10/h5-11H,12H2,1-4H3,(H,20,22);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3
InChIKeyAXPYJSUQADLCII-UHFFFAOYSA-N
MW1198.68 g/mol
LogP20.26
Rot. Bonds2

About bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one

bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one (PubChem CID 157262557) has the molecular formula C75H91N9O3S and a molecular weight of 1198.68 g/mol. Its IUPAC name is bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Namebis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one
PubChem CID157262557
Molecular FormulaC75H91N9O3S
Molecular Weight1198.68 g/mol
Exact Mass1197.70
IUPAC Namebis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one
SMILESCC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1
InChIInChI=1S/C19H22N2O2.C12H15N.2C11H14N2.C11H13NO.C11H13NS/c1-19(2,3)13-10-16-15(17(11-13)23-4)12-20-18(22)21(16)14-8-6-5-7-9-14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10/h5-11H,12H2,1-4H3,(H,20,22);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3
InChIKeyAXPYJSUQADLCII-UHFFFAOYSA-N
XLogP20.26
TPSA153.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.68
LogP ≤ 520.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;pteridine
CID 69691011
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;2,3-dihydro-1H-isoindole
CID 70103853
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole
CID 141195189
2-[7-(1,3-benzothiazol-2-yl)-6-(1H-indol-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-3H-benzimidazol-5-yl]-1,3-benzoxazole
CID 141200796
2-[5-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1-(1H-indol-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-yl-2H-isoindol-4-yl]-1,3-benzoxazole
CID 141396579
8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
2-[1-(1H-benzimidazol-2-yl)-4-(1-benzofuran-2-yl)-2,3-bis(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-2-imidazo[1,5-a]pyridin-6-yl-5-(1,8-naphthyridin-2-yl)-6-quinoxalin-2-ylindol-7-yl]-1,3-benzoxazole
CID 153534557
6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 157058602
2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol
CID 157081567
4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride
CID 157099246

Frequently Asked Questions

What is the IUPAC name of bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one (CID 157262557) is bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one is CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.
What is the InChIKey of bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one?
The InChIKey is AXPYJSUQADLCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C12H15N.2C11H14N2.C11H13NO.C11H13NS/c1-19(2,3)13-10-16-15(17(11-13)23-4)12-20-18(22)21(16)14-8-6-5-7-9-14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10/h5-11H,12H2,1-4H3,(H,20,22);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3.
What are the key properties of bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one?
bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one has a molecular weight of 1198.68 g/mol, XLogP of 20.26, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 157262557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).