1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole

C75H76N24O3S2 — CID 159258822

IUPAC1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole
SMILESC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.2C7H6N2.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C2H3N3.C2H2N2O.CH2N4.CH4/c3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;/h1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-5H;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);1-2H,(H,3,4,5);1-2H;1H,(H,2,3,4,5);1H4
InChIKeyKWFZYSCRDQZKAR-UHFFFAOYSA-N
MW1425.73 g/mol
LogP17.23
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole

1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole (PubChem CID 159258822) has the molecular formula C75H76N24O3S2 and a molecular weight of 1425.73 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole
PubChem CID159258822
Molecular FormulaC75H76N24O3S2
Molecular Weight1425.73 g/mol
Exact Mass1424.60
IUPAC Name1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole
SMILESC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.2C7H6N2.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C2H3N3.C2H2N2O.CH2N4.CH4/c3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;/h1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-5H;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);1-2H,(H,3,4,5);1-2H;1H,(H,2,3,4,5);1H4
InChIKeyKWFZYSCRDQZKAR-UHFFFAOYSA-N
XLogP17.23
TPSA371.98 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001425.73
LogP ≤ 517.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole with MolForge

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Related Compounds

1-benzothiophene;N-butyl-N-propylpyrimidin-2-amine;N-cyclohexyl-2-fluorobenzamide;2-(cyclopentylmethyl)pyridine;N-cyclopropyl-2-fluorobenzamide;undecakis(2,2-dimethylpropane);3-fluoro-7H-cyclopenta[b]pyridine;1-[(3-fluorophenyl)methyl]pyrrolidine;1H-indole;methane;1-(3-methylbutyl)pyrazole;2-pentylpyridine;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 157170813
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
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
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
1-benzofuran;1-benzothiophene;1H-indazole;7H-purine;quinoline
CID 68641188
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
CID 140969703
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-1-pyrazin-2-yl-3-(2H-tetrazol-5-yl)-2-(triazin-4-yl)cyclohexa-2,4-dien-1-yl]-1H-benzimidazole
CID 141279409

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole (CID 159258822) is 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole is C.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole?
The InChIKey is KWFZYSCRDQZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S.2C7H6N2.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C2H3N3.C2H2N2O.CH2N4.CH4/c3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;/h1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-5H;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);1-2H,(H,3,4,5);1-2H;1H,(H,2,3,4,5);1H4.
What are the key properties of 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole?
1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole has a molecular weight of 1425.73 g/mol, XLogP of 17.23, 0 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indole;methane;1,2,4-oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiophene;1H-1,2,4-triazole is sourced from PubChem (CID 159258822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).