3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine

C93H101F2N17S3 — CID 158695779

IUPAC3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine
SMILESCCc1cc2ccccn2n1.CCc1ccc2[nH]ncc2c1.CCc1ccc2cncn2c1.CCc1nc2cc(C)ccc2s1.CCc1nc2ccc(F)cc2[nH]1.Cc1ccc2c(cnn2C)c1.Cc1ccc2nc(C)sc2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.NCC1=Cc2cc(F)ccc2C1.Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15NS.C10H10FN.C10H11NS.C9H9FN2.4C9H10N2.C9H9NS.C7H7N3/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;11-10-2-1-8-3-7(6-12)4-9(8)5-10;1-3-10-11-8-6-7(2)4-5-9(8)12-10;1-2-9-11-7-4-3-6(10)5-8(7)12-9;1-7-3-4-9-8(5-7)6-10-11(9)2;1-2-8-3-4-9-5-10-7-11(9)6-8;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-8-7-9-5-3-4-6-11(9)10-8;1-6-3-4-8-9(5-6)11-7(2)10-8;8-5-1-2-6-7(3-5)10-4-9-6/h5-7H,1-4H3;1-2,4-5H,3,6,12H2;4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,11,12);3-6H,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);3-7H,2H2,1H3;3-5H,1-2H3;1-4H,8H2,(H,9,10)
InChIKeyIGXQDFBVQISZET-UHFFFAOYSA-N
MW1591.15 g/mol
LogP22.92
Rot. Bonds6

About 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine

3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine (PubChem CID 158695779) has the molecular formula C93H101F2N17S3 and a molecular weight of 1591.15 g/mol. Its IUPAC name is 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine.

Molecular Properties

Compound Name3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine
PubChem CID158695779
Molecular FormulaC93H101F2N17S3
Molecular Weight1591.15 g/mol
Exact Mass1589.76
IUPAC Name3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine
SMILESCCc1cc2ccccn2n1.CCc1ccc2[nH]ncc2c1.CCc1ccc2cncn2c1.CCc1nc2cc(C)ccc2s1.CCc1nc2ccc(F)cc2[nH]1.Cc1ccc2c(cnn2C)c1.Cc1ccc2nc(C)sc2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.NCC1=Cc2cc(F)ccc2C1.Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15NS.C10H10FN.C10H11NS.C9H9FN2.4C9H10N2.C9H9NS.C7H7N3/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;11-10-2-1-8-3-7(6-12)4-9(8)5-10;1-3-10-11-8-6-7(2)4-5-9(8)12-10;1-2-9-11-7-4-3-6(10)5-8(7)12-9;1-7-3-4-9-8(5-7)6-10-11(9)2;1-2-8-3-4-9-5-10-7-11(9)6-8;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-8-7-9-5-3-4-6-11(9)10-8;1-6-3-4-8-9(5-6)11-7(2)10-8;8-5-1-2-6-7(3-5)10-4-9-6/h5-7H,1-4H3;1-2,4-5H,3,6,12H2;4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,11,12);3-6H,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);3-7H,2H2,1H3;3-5H,1-2H3;1-4H,8H2,(H,9,10)
InChIKeyIGXQDFBVQISZET-UHFFFAOYSA-N
XLogP22.92
TPSA229.17 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.15
LogP ≤ 522.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine with MolForge

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
5-[3-[4-[5-fluoro-4-[3-[7-(5-fluorothiophen-2-yl)-3,9,11-triazatricyclo[6.3.0.02,4]undeca-1(8),4,6,9-tetraen-10-yl]-5-pyridin-3-yl-1H-indazol-7-yl]thiophen-2-yl]-1,8-dihydrocyclohepta[d]imidazol-2-yl]-1-methylindazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 145036708
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-[4-fluoro-3-[6-[2-(4-fluoro-3-methylphenyl)-5-(1H-imidazol-5-ylmethylamino)-3-pyridinyl]-1,3-benzothiazol-4-yl]-5-methylphenyl]pyridin-3-amine
CID 155371071
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
5-tert-butyl-1,3-benzothiazol-2-amine;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-2-fluoroaniline;1-tert-butyl-2-fluoro-4-methylbenzene;(3-tert-butyl-2-fluorophenyl)boronic acid;5-tert-butyl-1H-indazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-5-methyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2,2-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]propanamide
CID 161036356
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-(2,2-dimethylpiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161453498
4-(7-butyl-3-hexyl-2-benzothiophen-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[4-(3,5-dihexylthiophen-2-yl)-2-pyridinyl]-1H-benzimidazole;4-(3,5-dihexylthiophen-2-yl)-2-(1H-pyrrol-2-yl)pyridine
CID 161822699
2-N-(3H-benzimidazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 162132847
3-[4-[3-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]-5-methylthiophen-2-yl]-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-b]pyridine
CID 162602276
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350147
6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350232
2-[3-(1H-benzimidazol-2-yl)-2-(1H-indazol-3-yl)-4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1H-pyrrolo[3,2-c]pyridazin-3-yl)pyrrol-1-yl]-1,3-benzothiazole
CID 140977139

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine?
The IUPAC name of 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine (CID 158695779) is 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine.
What is the SMILES notation for 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine?
The canonical SMILES for 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine is CCc1cc2ccccn2n1.CCc1ccc2[nH]ncc2c1.CCc1ccc2cncn2c1.CCc1nc2cc(C)ccc2s1.CCc1nc2ccc(F)cc2[nH]1.Cc1ccc2c(cnn2C)c1.Cc1ccc2nc(C)sc2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.NCC1=Cc2cc(F)ccc2C1.Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine?
The InChIKey is IGXQDFBVQISZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS.C10H10FN.C10H11NS.C9H9FN2.4C9H10N2.C9H9NS.C7H7N3/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;11-10-2-1-8-3-7(6-12)4-9(8)5-10;1-3-10-11-8-6-7(2)4-5-9(8)12-10;1-2-9-11-7-4-3-6(10)5-8(7)12-9;1-7-3-4-9-8(5-7)6-10-11(9)2;1-2-8-3-4-9-5-10-7-11(9)6-8;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-8-7-9-5-3-4-6-11(9)10-8;1-6-3-4-8-9(5-6)11-7(2)10-8;8-5-1-2-6-7(3-5)10-4-9-6/h5-7H,1-4H3;1-2,4-5H,3,6,12H2;4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,11,12);3-6H,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);3-7H,2H2,1H3;3-5H,1-2H3;1-4H,8H2,(H,9,10).
What are the key properties of 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine?
3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine has a molecular weight of 1591.15 g/mol, XLogP of 22.92, 6 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-amine;6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine is sourced from PubChem (CID 158695779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).