N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C85H116ClF7N12O8 — CID 158171462

IUPACN-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(F)c2n1C1(C)CCC1.CC(C)(O)c1cc(C(F)(F)F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3CCC3)c2c1
InChIInChI=1S/C23H30F3N3O2.C21H28F3N3O2.C21H30FN3O2.C20H28ClN3O2/c1-21(2,13-8-9-13)12-18(30)27-20-28-19-16(23(24,25)26)10-14(22(3,4)31)11-17(19)29(20)15-6-5-7-15;1-19(2,3)11-16(28)25-18-26-17-14(21(22,23)24)9-12(20(4,5)29)10-15(17)27(18)13-7-6-8-13;1-19(2,3)12-15(26)24-18-23-14-9-8-13(20(4,5)27)16(22)17(14)25(18)21(6)10-7-11-21;1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h10-11,13,15,31H,5-9,12H2,1-4H3,(H,27,28,30);9-10,13,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,27H,7,10-12H2,1-6H3,(H,23,24,26);9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25)
InChIKeyFXMSLZZEMQQGFV-UHFFFAOYSA-N
MW1602.38 g/mol
LogP20.85
Rot. Bonds18

About N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158171462) has the molecular formula C85H116ClF7N12O8 and a molecular weight of 1602.38 g/mol. Its IUPAC name is N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID158171462
Molecular FormulaC85H116ClF7N12O8
Molecular Weight1602.38 g/mol
Exact Mass1600.86
IUPAC NameN-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(F)c2n1C1(C)CCC1.CC(C)(O)c1cc(C(F)(F)F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3CCC3)c2c1
InChIInChI=1S/C23H30F3N3O2.C21H28F3N3O2.C21H30FN3O2.C20H28ClN3O2/c1-21(2,13-8-9-13)12-18(30)27-20-28-19-16(23(24,25)26)10-14(22(3,4)31)11-17(19)29(20)15-6-5-7-15;1-19(2,3)11-16(28)25-18-26-17-14(21(22,23)24)9-12(20(4,5)29)10-15(17)27(18)13-7-6-8-13;1-19(2,3)12-15(26)24-18-23-14-9-8-13(20(4,5)27)16(22)17(14)25(18)21(6)10-7-11-21;1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h10-11,13,15,31H,5-9,12H2,1-4H3,(H,27,28,30);9-10,13,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,27H,7,10-12H2,1-6H3,(H,23,24,26);9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25)
InChIKeyFXMSLZZEMQQGFV-UHFFFAOYSA-N
XLogP20.85
TPSA268.60 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms113
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001602.38
LogP ≤ 520.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158171462) is N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(F)c2n1C1(C)CCC1.CC(C)(O)c1cc(C(F)(F)F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3CCC3)c2c1.
What is the InChIKey of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is FXMSLZZEMQQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O2.C21H28F3N3O2.C21H30FN3O2.C20H28ClN3O2/c1-21(2,13-8-9-13)12-18(30)27-20-28-19-16(23(24,25)26)10-14(22(3,4)31)11-17(19)29(20)15-6-5-7-15;1-19(2,3)11-16(28)25-18-26-17-14(21(22,23)24)9-12(20(4,5)29)10-15(17)27(18)13-7-6-8-13;1-19(2,3)12-15(26)24-18-23-14-9-8-13(20(4,5)27)16(22)17(14)25(18)21(6)10-7-11-21;1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h10-11,13,15,31H,5-9,12H2,1-4H3,(H,27,28,30);9-10,13,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,27H,7,10-12H2,1-6H3,(H,23,24,26);9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25).
What are the key properties of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1602.38 g/mol, XLogP of 20.85, 18 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158171462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).