N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide

C114H154F3N19O12 — CID 157279239

About N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide

N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (PubChem CID 157279239) has the molecular formula C114H154F3N19O12 and a molecular weight of 2039.60 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.

Molecular Properties

• Compound Name: N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
• PubChem CID: 157279239
• Molecular Formula: C114H154F3N19O12
• Molecular Weight: 2039.60 g/mol
• Exact Mass: 2038.20
• IUPAC Name: N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(CO)cc2n1C1CCC1.CC(C)[C@H](C)C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1.CCOC(=O)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1
• InChI: InChI=1S/C20H27N3O3.2C20H29N3O2.C19H24N4O2.C18H25N3O2.C17H20F3N3O/c1-5-26-18(25)13-9-10-15-16(11-13)23(14-7-6-8-14)19(21-15)22-17(24)12-20(2,3)4;1-19(2,3)12-17(24)22-18-21-15-10-9-13(20(4,5)25)11-16(15)23(18)14-7-6-8-14;1-12(2)13(3)18(24)22-19-21-16-10-9-14(20(4,5)25)11-17(16)23(19)15-7-6-8-15;1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-18(2,3)10-16(23)20-17-19-14-8-7-12(11-22)9-15(14)21(17)13-5-4-6-13;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/h9-11,14H,5-8,12H2,1-4H3,(H,21,22,24);9-11,14,25H,6-8,12H2,1-5H3,(H,21,22,24);9-13,15,25H,6-8H2,1-5H3,(H,21,22,24);7-10,13H,1-6H3,(H,20,21,24);7-9,13,22H,4-6,10-11H2,1-3H3,(H,19,20,23);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t;;2*13-;;/m..01../s1
• InChIKey: AZLTZNFKZSFIFR-LMKUVADLSA-N
• XLogP: 25.37
• TPSA: 394.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.60
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(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-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (CID 157279239) is N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(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-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(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-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(CO)cc2n1C1CCC1.CC(C)[C@H](C)C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1.CCOC(=O)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.

What is the InChIKey of N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?

The InChIKey is AZLTZNFKZSFIFR-LMKUVADLSA-N. The full InChI is InChI=1S/C20H27N3O3.2C20H29N3O2.C19H24N4O2.C18H25N3O2.C17H20F3N3O/c1-5-26-18(25)13-9-10-15-16(11-13)23(14-7-6-8-14)19(21-15)22-17(24)12-20(2,3)4;1-19(2,3)12-17(24)22-18-21-15-10-9-13(20(4,5)25)11-16(15)23(18)14-7-6-8-14;1-12(2)13(3)18(24)22-19-21-16-10-9-14(20(4,5)25)11-17(16)23(19)15-7-6-8-15;1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-18(2,3)10-16(23)20-17-19-14-8-7-12(11-22)9-15(14)21(17)13-5-4-6-13;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/h9-11,14H,5-8,12H2,1-4H3,(H,21,22,24);9-11,14,25H,6-8,12H2,1-5H3,(H,21,22,24);9-13,15,25H,6-8H2,1-5H3,(H,21,22,24);7-10,13H,1-6H3,(H,20,21,24);7-9,13,22H,4-6,10-11H2,1-3H3,(H,19,20,23);7-9,11H,4-6H2,1-3H3,(H,21,22,24)/t;;2*13-;;/m..01../s1.

What are the key properties of N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?

N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(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 2039.60 g/mol, XLogP of 25.37, 24 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclobutyl-6-(hydroxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;ethyl 3-cyclobutyl-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate;(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 157279239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).