acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide

C77H83Br2ClF7N17O6 — CID 161090326

About acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide

acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide (PubChem CID 161090326) has the molecular formula C77H83Br2ClF7N17O6 and a molecular weight of 1670.87 g/mol. Its IUPAC name is acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide.

Molecular Properties

• Compound Name: acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide
• PubChem CID: 161090326
• Molecular Formula: C77H83Br2ClF7N17O6
• Molecular Weight: 1670.87 g/mol
• Exact Mass: 1667.47
• IUPAC Name: acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide
• SMILES: C/C(=N\C1CC1)Nc1c(F)cc(Br)cc1F.CC(=O)NC1CC1.CC(=O)OC(C)=O.Cc1nc2c(F)cc(-c3nc(Cl)ncc3F)cc2n1C1CC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)OC(C)(C)C)C5)ncc3F)cc2n1C1CC1.Cc1nc2c(F)cc(Br)cc2n1C1CC1.NC1CC1
• InChI: InChI=1S/C28H29F2N7O2.C15H11ClF2N4.C11H11BrF2N2.C11H10BrFN2.C5H9NO.C4H6O3.C3H7N/c1-15-32-25-19(29)11-17(12-22(25)37(15)18-6-7-18)24-20(30)13-31-26(35-24)34-23-8-5-16-14-36(10-9-21(16)33-23)27(38)39-28(2,3)4;1-7-20-14-10(17)4-8(5-12(14)22(7)9-2-3-9)13-11(18)6-19-15(16)21-13;1-6(15-8-2-3-8)16-11-9(13)4-7(12)5-10(11)14;1-6-14-11-9(13)4-7(12)5-10(11)15(6)8-2-3-8;1-4(7)6-5-2-3-5;1-3(5)7-4(2)6;4-3-1-2-3/h5,8,11-13,18H,6-7,9-10,14H2,1-4H3,(H,31,33,34,35);4-6,9H,2-3H2,1H3;4-5,8H,2-3H2,1H3,(H,15,16);4-5,8H,2-3H2,1H3;5H,2-3H2,1H3,(H,6,7);1-2H3;3H,1-2,4H2
• InChIKey: UHBVWVPHQBKMNC-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 282.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.87
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide?

The IUPAC name of acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide (CID 161090326) is acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide.

What is the SMILES notation for acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide?

The canonical SMILES for acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide is C/C(=N\C1CC1)Nc1c(F)cc(Br)cc1F.CC(=O)NC1CC1.CC(=O)OC(C)=O.Cc1nc2c(F)cc(-c3nc(Cl)ncc3F)cc2n1C1CC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)OC(C)(C)C)C5)ncc3F)cc2n1C1CC1.Cc1nc2c(F)cc(Br)cc2n1C1CC1.NC1CC1.

What is the InChIKey of acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide?

The InChIKey is UHBVWVPHQBKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O2.C15H11ClF2N4.C11H11BrF2N2.C11H10BrFN2.C5H9NO.C4H6O3.C3H7N/c1-15-32-25-19(29)11-17(12-22(25)37(15)18-6-7-18)24-20(30)13-31-26(35-24)34-23-8-5-16-14-36(10-9-21(16)33-23)27(38)39-28(2,3)4;1-7-20-14-10(17)4-8(5-12(14)22(7)9-2-3-9)13-11(18)6-19-15(16)21-13;1-6(15-8-2-3-8)16-11-9(13)4-7(12)5-10(11)14;1-6-14-11-9(13)4-7(12)5-10(11)15(6)8-2-3-8;1-4(7)6-5-2-3-5;1-3(5)7-4(2)6;4-3-1-2-3/h5,8,11-13,18H,6-7,9-10,14H2,1-4H3,(H,31,33,34,35);4-6,9H,2-3H2,1H3;4-5,8H,2-3H2,1H3,(H,15,16);4-5,8H,2-3H2,1H3;5H,2-3H2,1H3,(H,6,7);1-2H3;3H,1-2,4H2.

What are the key properties of acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide?

acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide has a molecular weight of 1670.87 g/mol, XLogP of 17.70, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide is sourced from PubChem (CID 161090326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).