benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole

C139H186ClF6N53O8 — CID 160685426

About benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole

benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole (PubChem CID 160685426) has the molecular formula C139H186ClF6N53O8 and a molecular weight of 2876.82 g/mol. Its IUPAC name is benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
• PubChem CID: 160685426
• Molecular Formula: C139H186ClF6N53O8
• Molecular Weight: 2876.82 g/mol
• Exact Mass: 2874.54
• IUPAC Name: benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
• SMILES: CCc1cccn1C.Cc1cc(C)n(C)n1.Cc1ccn(C)c(=O)c1.Cc1cn(C)c(C)n1.Cc1cn(C)cn1.Cc1cnc(C)[nH]1.Cc1nc(CCN(C)C)no1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nn[nH]n1.Cc1noc(C)n1.Cn1cc(C(F)(F)F)ccc1=O.Cn1cc(Cl)ccc1=O.Cn1ccc(CCN)n1.Cn1ccc(NC(=O)OCc2ccccc2)c1.Cn1cccn1.Cn1ccnc1.Cn1cnc(-c2ccccc2)c1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnnn1.Cn1nnc2ccccc21.Cn1nnnc1C(F)(F)F
• InChI: InChI=1S/C13H14N2O2.C10H10N2.C8H8N2.C7H6F3NO.C7H13N3O.2C7H7N3.C7H9NO.C7H11N.C6H6ClNO.C6H11N3.2C6H10N2.3C5H8N2.C4H6N2O.3C4H6N2.C4H5NO.C3H3F3N4.2C2H4N4/c1-15-8-7-12(9-15)14-13(16)17-10-11-5-3-2-4-6-11;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-10-6-9-7-4-2-3-5-8(7)10;1-11-4-5(7(8,9)10)2-3-6(11)12;1-6-8-7(9-11-6)4-5-10(2)3;1-10-5-9-6-3-2-4-8-7(6)10;1-10-7-5-3-2-4-6(7)8-9-10;1-6-3-4-8(2)7(9)5-6;1-3-7-5-4-6-8(7)2;1-8-4-5(7)2-3-6(8)9;1-9-5-3-6(8-9)2-4-7;1-5-4-8(3)6(2)7-5;1-5-4-6(2)8(3)7-5;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-10-2(3(4,5)6)7-8-9-10;1-6-2-3-4-5-6;1-2-3-5-6-4-2/h2-9H,10H2,1H3,(H,14,16);2-8H,1H3;2-6H,1H3;2-4H,1H3;4-5H2,1-3H3;2*2-5H,1H3;3-5H,1-2H3;4-6H,3H2,1-2H3;2-4H,1H3;3,5H,2,4,7H2,1H3;2*4H,1-3H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);1-2H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;1H3;2H,1H3;1H3,(H,3,4,5,6)
• InChIKey: RORVCYJCTKZRDF-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 668.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 57
• Rotatable Bonds: 10
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2876.82
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole?

The IUPAC name of benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole (CID 160685426) is benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole.

What is the SMILES notation for benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole?

The canonical SMILES for benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole is CCc1cccn1C.Cc1cc(C)n(C)n1.Cc1ccn(C)c(=O)c1.Cc1cn(C)c(C)n1.Cc1cn(C)cn1.Cc1cnc(C)[nH]1.Cc1nc(CCN(C)C)no1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nn[nH]n1.Cc1noc(C)n1.Cn1cc(C(F)(F)F)ccc1=O.Cn1cc(Cl)ccc1=O.Cn1ccc(CCN)n1.Cn1ccc(NC(=O)OCc2ccccc2)c1.Cn1cccn1.Cn1ccnc1.Cn1cnc(-c2ccccc2)c1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnnn1.Cn1nnc2ccccc21.Cn1nnnc1C(F)(F)F.

What is the InChIKey of benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole?

The InChIKey is RORVCYJCTKZRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C10H10N2.C8H8N2.C7H6F3NO.C7H13N3O.2C7H7N3.C7H9NO.C7H11N.C6H6ClNO.C6H11N3.2C6H10N2.3C5H8N2.C4H6N2O.3C4H6N2.C4H5NO.C3H3F3N4.2C2H4N4/c1-15-8-7-12(9-15)14-13(16)17-10-11-5-3-2-4-6-11;1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-10-6-9-7-4-2-3-5-8(7)10;1-11-4-5(7(8,9)10)2-3-6(11)12;1-6-8-7(9-11-6)4-5-10(2)3;1-10-5-9-6-3-2-4-8-7(6)10;1-10-7-5-3-2-4-6(7)8-9-10;1-6-3-4-8(2)7(9)5-6;1-3-7-5-4-6-8(7)2;1-8-4-5(7)2-3-6(8)9;1-9-5-3-6(8-9)2-4-7;1-5-4-8(3)6(2)7-5;1-5-4-6(2)8(3)7-5;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-10-2(3(4,5)6)7-8-9-10;1-6-2-3-4-5-6;1-2-3-5-6-4-2/h2-9H,10H2,1H3,(H,14,16);2-8H,1H3;2-6H,1H3;2-4H,1H3;4-5H2,1-3H3;2*2-5H,1H3;3-5H,1-2H3;4-6H,3H2,1-2H3;2-4H,1H3;3,5H,2,4,7H2,1H3;2*4H,1-3H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);1-2H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;1H3;2H,1H3;1H3,(H,3,4,5,6).

What are the key properties of benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole?

benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole has a molecular weight of 2876.82 g/mol, XLogP of 20.23, 10 rotatable bonds, 5 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylpyrrole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methyl-4-phenylimidazole;1-methylpyrazole;2-(1-methylpyrazol-3-yl)ethanamine;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 160685426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).