5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine

C68H83Cl2N21S — CID 158152297

IUPAC5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine
SMILESClc1cc2nc(C3CCNCC3)[nH]c2cc1Cl.c1cc2nc(C3CCNCC3)[nH]c2cn1.c1ccc2[nH]c(C3CCNCC3)nc2c1.c1ccc2sc(C3CCNCC3)nc2c1.c1cnc2nc(C3CCNCC3)[nH]c2c1.c1ncc2[nH]c(C3CCNCC3)nc2n1
InChIInChI=1S/C12H13Cl2N3.C12H15N3.C12H14N2S.2C11H14N4.C10H13N5/c13-8-5-10-11(6-9(8)14)17-12(16-10)7-1-3-15-4-2-7;2*1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;1-4-12-5-2-8(1)11-14-9-3-6-13-7-10(9)15-11;1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8;1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h5-7,15H,1-4H2,(H,16,17);1-4,9,13H,5-8H2,(H,14,15);1-4,9,13H,5-8H2;3,6-8,12H,1-2,4-5H2,(H,14,15);1-2,5,8,12H,3-4,6-7H2,(H,13,14,15);5-7,11H,1-4H2,(H,12,13,14,15)
InChIKeyFVGKFOAWAXKFON-UHFFFAOYSA-N
MW1297.53 g/mol
LogP11.80
Rot. Bonds6

About 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine

5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine (PubChem CID 158152297) has the molecular formula C68H83Cl2N21S and a molecular weight of 1297.53 g/mol. Its IUPAC name is 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine.

Molecular Properties

Compound Name5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine
PubChem CID158152297
Molecular FormulaC68H83Cl2N21S
Molecular Weight1297.53 g/mol
Exact Mass1295.62
IUPAC Name5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine
SMILESClc1cc2nc(C3CCNCC3)[nH]c2cc1Cl.c1cc2nc(C3CCNCC3)[nH]c2cn1.c1ccc2[nH]c(C3CCNCC3)nc2c1.c1ccc2sc(C3CCNCC3)nc2c1.c1cnc2nc(C3CCNCC3)[nH]c2c1.c1ncc2[nH]c(C3CCNCC3)nc2n1
InChIInChI=1S/C12H13Cl2N3.C12H15N3.C12H14N2S.2C11H14N4.C10H13N5/c13-8-5-10-11(6-9(8)14)17-12(16-10)7-1-3-15-4-2-7;2*1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;1-4-12-5-2-8(1)11-14-9-3-6-13-7-10(9)15-11;1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8;1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h5-7,15H,1-4H2,(H,16,17);1-4,9,13H,5-8H2,(H,14,15);1-4,9,13H,5-8H2;3,6-8,12H,1-2,4-5H2,(H,14,15);1-2,5,8,12H,3-4,6-7H2,(H,13,14,15);5-7,11H,1-4H2,(H,12,13,14,15)
InChIKeyFVGKFOAWAXKFON-UHFFFAOYSA-N
XLogP11.80
TPSA280.03 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001297.53
LogP ≤ 511.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine with MolForge

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Related Compounds

N,5-dimethyl-1H-imidazol-2-amine;N,6-dimethylpyridin-2-amine;N,2-dimethylpyrimidin-4-amine;N,4-dimethyl-1,3-thiazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;6-methyl-2,3,4,5-tetrahydropyridine;2-methyl-1,4,5,6-tetrahydropyrimidine;2-methyl-1,3-thiazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2,4,5-trimethyl-4,5-dihydro-1H-imidazole;2,4,5-trimethyl-1H-imidazole
CID 157250186
2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
CID 157284733
2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
CID 158027548
2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 159036027
2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160739449
2-tert-butyl-4-chloro-1,3-benzothiazole;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
CID 161033768
2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 161046791
1H-benzimidazol-2-ylazanide;1,3-benzothiazol-2-ylazanide;carbanide;2,3-dihydroimidazo[4,5-b]pyridin-2-ide;4,5-dihydro-1H-imidazol-2-ylazanide;1H-imidazol-2-ylazanide;N-methyl-1,4-dihydroimidazol-4-id-2-amine;N-methyl-2H-pyridin-2-id-6-amine;N-methyl-2H-pyrimidin-2-id-4-amine;N-methyl-4H-1,3-thiazol-4-id-2-amine;pyridin-2-ylazanide;pyrimidin-2-ylazanide;1,2,3,4-tetrahydro-1,8-naphthyridin-2-ide;2,3,4,7-tetrahydro-1H-1,8-naphthyridin-7-ide;1,4,5,6-tetrahydropyrimidin-2-ylazanide;[1,3]thiazolo[4,5-b]pyridin-2-ylazanide;1,3-thiazol-2-ylazanide;nonakis(uranium(2+));heptakis(vanadium(2+))
CID 161245186
bis(6-chloro-N-(6-chloro-3-pyridinyl)-3H-imidazo[4,5-c]pyridine-2-carboxamide);N-(6-chloro-3-pyridinyl)-1,3-benzothiazole-2-carboxamide;N-(6-chloro-3-pyridinyl)-5,6-difluoro-1,3-benzothiazole-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-fluoro-1,3-benzothiazole-2-carboxamide;N-(6-chloro-3-pyridinyl)-7H-purine-8-carboxamide;4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 161881534
2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine
CID 162012536

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine?
The IUPAC name of 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine (CID 158152297) is 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine.
What is the SMILES notation for 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine?
The canonical SMILES for 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine is Clc1cc2nc(C3CCNCC3)[nH]c2cc1Cl.c1cc2nc(C3CCNCC3)[nH]c2cn1.c1ccc2[nH]c(C3CCNCC3)nc2c1.c1ccc2sc(C3CCNCC3)nc2c1.c1cnc2nc(C3CCNCC3)[nH]c2c1.c1ncc2[nH]c(C3CCNCC3)nc2n1.
What is the InChIKey of 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine?
The InChIKey is FVGKFOAWAXKFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3.C12H15N3.C12H14N2S.2C11H14N4.C10H13N5/c13-8-5-10-11(6-9(8)14)17-12(16-10)7-1-3-15-4-2-7;2*1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;1-4-12-5-2-8(1)11-14-9-3-6-13-7-10(9)15-11;1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8;1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h5-7,15H,1-4H2,(H,16,17);1-4,9,13H,5-8H2,(H,14,15);1-4,9,13H,5-8H2;3,6-8,12H,1-2,4-5H2,(H,14,15);1-2,5,8,12H,3-4,6-7H2,(H,13,14,15);5-7,11H,1-4H2,(H,12,13,14,15).
What are the key properties of 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine?
5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine has a molecular weight of 1297.53 g/mol, XLogP of 11.80, 6 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole;2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine;8-piperidin-4-yl-7H-purine is sourced from PubChem (CID 158152297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).