benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene

C79H71N13O2S2 — CID 159007652

IUPACbenzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene
SMILESc1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ncc2c1
InChIInChI=1S/C10H8.C8H7N.C8H6O.C8H6S.C7H6N2.2C6H5N3.C6H6.C5H5N.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1/h1-8H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);1-6H;1-5H;1-5H;2*1-4H;1-3H,(H,4,5)
InChIKeyJSCRAOBEYIFQKW-UHFFFAOYSA-N
MW1298.66 g/mol
LogP21.04
Rot. Bonds

About benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene

benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene (PubChem CID 159007652) has the molecular formula C79H71N13O2S2 and a molecular weight of 1298.66 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene.

Molecular Properties

Compound Namebenzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene
PubChem CID159007652
Molecular FormulaC79H71N13O2S2
Molecular Weight1298.66 g/mol
Exact Mass1297.53
IUPAC Namebenzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene
SMILESc1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ncc2c1
InChIInChI=1S/C10H8.C8H7N.C8H6O.C8H6S.C7H6N2.2C6H5N3.C6H6.C5H5N.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1/h1-8H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);1-6H;1-5H;1-5H;2*1-4H;1-3H,(H,4,5)
InChIKeyJSCRAOBEYIFQKW-UHFFFAOYSA-N
XLogP21.04
TPSA211.25 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001298.66
LogP ≤ 521.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene with MolForge

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Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877
1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 160496884
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 161420728
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 161612650
1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;furan;methane;naphthalene;1,2,4-oxadiazole;1-phenyltriazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;1,3,4-thiadiazole;2H-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162272411
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene;3,5-diphenyl-1H-pyrazole;furan;1H-indole;naphthalene;1,2-oxazole;1-phenyltriazole;1H-pyrazole;pyridazine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,2-thiazole;2,2,2-trifluoro-1-phenylethanone
CID 162282430
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltetrazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300075
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?
The IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene (CID 159007652) is benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene.
What is the SMILES notation for benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?
The canonical SMILES for benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene is c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ncc2c1.
What is the InChIKey of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?
The InChIKey is JSCRAOBEYIFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H7N.C8H6O.C8H6S.C7H6N2.2C6H5N3.C6H6.C5H5N.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1/h1-8H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);1-6H;1-5H;1-5H;2*1-4H;1-3H,(H,4,5).
What are the key properties of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?
benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene has a molecular weight of 1298.66 g/mol, XLogP of 21.04, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene is sourced from PubChem (CID 159007652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).