1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide

C109H137F3N20O8 — CID 161294500

About 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide

1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 161294500) has the molecular formula C109H137F3N20O8 and a molecular weight of 1912.42 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 161294500
• Molecular Formula: C109H137F3N20O8
• Molecular Weight: 1912.42 g/mol
• Exact Mass: 1911.09
• IUPAC Name: 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
• SMILES: C=C(Nc1nc2ccc(C)cc2n1C1CCC1)[C@H]1CC1(C)C.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1
• InChI: InChI=1S/C19H25N3O2.C19H25N3.C18H20N4O2.C18H22N4O2.C18H25N3O.C17H20F3N3O/c1-11-7-8-15-16(9-11)22(12-5-4-6-12)18(20-15)21-17(23)13-10-14(13)19(2,3)24;1-12-8-9-16-17(10-12)22(14-6-5-7-14)18(21-16)20-13(2)15-11-19(15,3)4;1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4;1-10(2)13(5)17(23)20-18-19-14-7-6-11(3)8-15(14)22(18)16-9-12(4)21-24-16;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20/h7-9,12-14,24H,4-6,10H2,1-3H3,(H,20,21,23);8-10,14-15H,2,5-7,11H2,1,3-4H3,(H,20,21);5-8,12H,9H2,1-4H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t13-,14-;15-;12-;2*13-;/m01101./s1
• InChIKey: VGUHLGHZKBKLSZ-QRCNTMCISA-N
• XLogP: 24.83
• TPSA: 336.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.42
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide (CID 161294500) is 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide is C=C(Nc1nc2ccc(C)cc2n1C1CCC1)[C@H]1CC1(C)C.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

The InChIKey is VGUHLGHZKBKLSZ-QRCNTMCISA-N. The full InChI is InChI=1S/C19H25N3O2.C19H25N3.C18H20N4O2.C18H22N4O2.C18H25N3O.C17H20F3N3O/c1-11-7-8-15-16(9-11)22(12-5-4-6-12)18(20-15)21-17(23)13-10-14(13)19(2,3)24;1-12-8-9-16-17(10-12)22(14-6-5-7-14)18(21-16)20-13(2)15-11-19(15,3)4;1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4;1-10(2)13(5)17(23)20-18-19-14-7-6-11(3)8-15(14)22(18)16-9-12(4)21-24-16;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20/h7-9,12-14,24H,4-6,10H2,1-3H3,(H,20,21,23);8-10,14-15H,2,5-7,11H2,1,3-4H3,(H,20,21);5-8,12H,9H2,1-4H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t13-,14-;15-;12-;2*13-;/m01101./s1.

What are the key properties of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide?

1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 1912.42 g/mol, XLogP of 24.83, 22 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161294500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).