1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane

C58H60Cl7N15O10 — CID 157236030

About 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane

1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane (PubChem CID 157236030) has the molecular formula C58H60Cl7N15O10 and a molecular weight of 1375.38 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane
• PubChem CID: 157236030
• Molecular Formula: C58H60Cl7N15O10
• Molecular Weight: 1375.38 g/mol
• Exact Mass: 1371.25
• IUPAC Name: 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane
• SMILES: C.C.Cc1cc(Cl)nc(Cl)n1.NCc1ccc2c(c1)OCO2.O=C(CCc1cc(Cl)nc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2.O=C(CCc1cc(Cl)nc(Cl)n1)NCc1ccc2c(c1)OCO2.O=C(O)CCc1cc(Cl)nc(Cl)n1.c1c[nH]cn1
• InChI: InChI=1S/C18H16ClN5O3.C15H13Cl2N3O3.C8H9NO2.C7H6Cl2N2O2.C5H4Cl2N2.C3H4N2.2CH4/c19-16-8-13(22-18(23-16)24-6-5-20-10-24)2-4-17(25)21-9-12-1-3-14-15(7-12)27-11-26-14;16-13-6-10(19-15(17)20-13)2-4-14(21)18-7-9-1-3-11-12(5-9)23-8-22-11;9-4-6-1-2-7-8(3-6)11-5-10-7;8-5-3-4(1-2-6(12)13)10-7(9)11-5;1-3-2-4(6)9-5(7)8-3;1-2-5-3-4-1;;/h1,3,5-8,10H,2,4,9,11H2,(H,21,25);1,3,5-6H,2,4,7-8H2,(H,18,21);1-3H,4-5,9H2;3H,1-2H2,(H,12,13);2H,1H3;1-3H,(H,4,5);2*1H4
• InChIKey: AUQLLBWYOYANBT-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 326.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.38
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane?

The IUPAC name of 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane (CID 157236030) is 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane.

What is the SMILES notation for 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane?

The canonical SMILES for 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane is C.C.Cc1cc(Cl)nc(Cl)n1.NCc1ccc2c(c1)OCO2.O=C(CCc1cc(Cl)nc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2.O=C(CCc1cc(Cl)nc(Cl)n1)NCc1ccc2c(c1)OCO2.O=C(O)CCc1cc(Cl)nc(Cl)n1.c1c[nH]cn1.

What is the InChIKey of 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane?

The InChIKey is AUQLLBWYOYANBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3.C15H13Cl2N3O3.C8H9NO2.C7H6Cl2N2O2.C5H4Cl2N2.C3H4N2.2CH4/c19-16-8-13(22-18(23-16)24-6-5-20-10-24)2-4-17(25)21-9-12-1-3-14-15(7-12)27-11-26-14;16-13-6-10(19-15(17)20-13)2-4-14(21)18-7-9-1-3-11-12(5-9)23-8-22-11;9-4-6-1-2-7-8(3-6)11-5-10-7;8-5-3-4(1-2-6(12)13)10-7(9)11-5;1-3-2-4(6)9-5(7)8-3;1-2-5-3-4-1;;/h1,3,5-8,10H,2,4,9,11H2,(H,21,25);1,3,5-6H,2,4,7-8H2,(H,18,21);1-3H,4-5,9H2;3H,1-2H2,(H,12,13);2H,1H3;1-3H,(H,4,5);2*1H4.

What are the key properties of 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane?

1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane has a molecular weight of 1375.38 g/mol, XLogP of 11.50, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-ylmethanamine;N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide;N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dichloropyrimidin-4-yl)propanamide;2,4-dichloro-6-methylpyrimidine;3-(2,6-dichloropyrimidin-4-yl)propanoic acid;1H-imidazole;methane is sourced from PubChem (CID 157236030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).