N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide

C109H133F3N22O10 — CID 158852877

IUPACN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C19H24N4O2.C19H25N3O.C18H20N4O2.2C18H22N4O2.C17H20F3N3O/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-13-7-8-15-16(11-13)22(14-5-3-6-14)18(20-15)21-17(23)12-19(2)9-4-10-19;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;1-11-6-7-13-14(8-11)22(16-9-12(2)21-24-16)17(19-13)20-15(23)10-18(3,4)5;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;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20/h7-10,13H,1-6H3,(H,20,21,24);7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,21,23);5-8,12H,9H2,1-4H3,(H,19,20,23);6-9H,10H2,1-5H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t13-;;12-;;13-;/m1.1.0./s1
InChIKeyIZRJKCVSNTUBOB-VNRPLCHLSA-N
MW1968.40 g/mol
LogP24.92
Rot. Bonds20

About N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (PubChem CID 158852877) has the molecular formula C109H133F3N22O10 and a molecular weight of 1968.40 g/mol. Its IUPAC name is N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
PubChem CID158852877
Molecular FormulaC109H133F3N22O10
Molecular Weight1968.40 g/mol
Exact Mass1967.05
IUPAC NameN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C19H24N4O2.C19H25N3O.C18H20N4O2.2C18H22N4O2.C17H20F3N3O/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-13-7-8-15-16(11-13)22(14-5-3-6-14)18(20-15)21-17(23)12-19(2)9-4-10-19;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;1-11-6-7-13-14(8-11)22(16-9-12(2)21-24-16)17(19-13)20-15(23)10-18(3,4)5;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;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20/h7-10,13H,1-6H3,(H,20,21,24);7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,21,23);5-8,12H,9H2,1-4H3,(H,19,20,23);6-9H,10H2,1-5H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t13-;;12-;;13-;/m1.1.0./s1
InChIKeyIZRJKCVSNTUBOB-VNRPLCHLSA-N
XLogP24.92
TPSA385.64 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001968.40
LogP ≤ 524.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The IUPAC name of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (CID 158852877) is N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.
What is the SMILES notation for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The canonical SMILES for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1.
What is the InChIKey of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The InChIKey is IZRJKCVSNTUBOB-VNRPLCHLSA-N. The full InChI is InChI=1S/C19H24N4O2.C19H25N3O.C18H20N4O2.2C18H22N4O2.C17H20F3N3O/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-13-7-8-15-16(11-13)22(14-5-3-6-14)18(20-15)21-17(23)12-19(2)9-4-10-19;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;1-11-6-7-13-14(8-11)22(16-9-12(2)21-24-16)17(19-13)20-15(23)10-18(3,4)5;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;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20/h7-10,13H,1-6H3,(H,20,21,24);7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,21,23);5-8,12H,9H2,1-4H3,(H,19,20,23);6-9H,10H2,1-5H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t13-;;12-;;13-;/m1.1.0./s1.
What are the key properties of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide has a molecular weight of 1968.40 g/mol, XLogP of 24.92, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;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;3,3-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;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is sourced from PubChem (CID 158852877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).