1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene

C134H222N16O2S2 — CID 158514112

IUPAC1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene
SMILESC.C.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.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccsc1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cocn1
InChIInChI=1S/C8H6N2.C8H7N.C8H9N.C8H7N.C8H6O.C8H6S.4C7H6N2.C5H5N.C4H5N.C4H4S.C3H3NO.14C2H6.14CH4/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-6-9-7-3-5-8(9)4-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;14*1-2;;;;;;;;;;;;;;/h1-6H;1-7H;1-4,9H,5-6H2;1-6,9H;2*1-6H;1-5,9H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);1-5H;1-5H;1-4H;1-3H;14*1-2H3;14*1H4
InChIKeyHLKNNWMSWFPVHS-UHFFFAOYSA-N
MW2153.49 g/mol
LogP46.54
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene

1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene (PubChem CID 158514112) has the molecular formula C134H222N16O2S2 and a molecular weight of 2153.49 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene
PubChem CID158514112
Molecular FormulaC134H222N16O2S2
Molecular Weight2153.49 g/mol
Exact Mass2151.72
IUPAC Name1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene
SMILESC.C.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.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccsc1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cocn1
InChIInChI=1S/C8H6N2.C8H7N.C8H9N.C8H7N.C8H6O.C8H6S.4C7H6N2.C5H5N.C4H5N.C4H4S.C3H3NO.14C2H6.14CH4/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-6-9-7-3-5-8(9)4-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;14*1-2;;;;;;;;;;;;;;/h1-6H;1-7H;1-4,9H,5-6H2;1-6,9H;2*1-6H;1-5,9H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);1-5H;1-5H;1-4H;1-3H;14*1-2H3;14*1H4
InChIKeyHLKNNWMSWFPVHS-UHFFFAOYSA-N
XLogP46.54
TPSA229.20 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.49
LogP ≤ 546.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene with MolForge

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Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;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;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene (CID 158514112) is 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene is C.C.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.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccsc1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cocn1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene?
The InChIKey is HLKNNWMSWFPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C8H7N.C8H9N.C8H7N.C8H6O.C8H6S.4C7H6N2.C5H5N.C4H5N.C4H4S.C3H3NO.14C2H6.14CH4/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-6-9-7-3-5-8(9)4-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;14*1-2;;;;;;;;;;;;;;/h1-6H;1-7H;1-4,9H,5-6H2;1-6,9H;2*1-6H;1-5,9H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);1-5H;1-5H;1-4H;1-3H;14*1-2H3;14*1H4.
What are the key properties of 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene?
1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene has a molecular weight of 2153.49 g/mol, XLogP of 46.54, 0 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1-benzothiophene;2,3-dihydro-1H-indole;ethane;1H-indole;indolizine;methane;1,3-oxazole;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinazoline;thiophene is sourced from PubChem (CID 158514112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).