N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide

C112H148BrCl2F3N18O6 — CID 159583951

IUPACN-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Br)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(F)F)cc2n1C1CCC1.CC(C)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.CC(C)c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.CC1(CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)CCC1.C[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)C1CC(C)(F)C1
InChIInChI=1S/2C20H29N3O.C19H23ClFN3O.C18H22ClN3O.C18H23F2N3O.C17H22BrN3O/c1-13(2)14-9-10-16-17(11-14)23(15-7-6-8-15)19(21-16)22-18(24)12-20(3,4)5;1-12(2)14(5)19(24)22-20-21-17-10-9-15(13(3)4)11-18(17)23(20)16-7-6-8-16;1-11(12-9-19(2,21)10-12)17(25)23-18-22-15-7-6-13(20)8-16(15)24(18)14-4-3-5-14;1-18(8-3-9-18)11-16(23)21-17-20-14-7-6-12(19)10-15(14)22(17)13-4-2-5-13;1-18(2,3)10-15(24)22-17-21-13-8-7-11(16(19)20)9-14(13)23(17)12-5-4-6-12;1-17(2,3)10-15(22)20-16-19-13-8-7-11(18)9-14(13)21(16)12-5-4-6-12/h9-11,13,15H,6-8,12H2,1-5H3,(H,21,22,24);9-14,16H,6-8H2,1-5H3,(H,21,22,24);6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,23,25);6-7,10,13H,2-5,8-9,11H2,1H3,(H,20,21,23);7-9,12,16H,4-6,10H2,1-3H3,(H,21,22,24);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)/t;14-;11-,12?,19?;;;/m.00.../s1
InChIKeyMJJJSXXSARJDEP-XRFLCOLVSA-N
MW2050.34 g/mol
LogP30.41
Rot. Bonds24

About N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide

N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide (PubChem CID 159583951) has the molecular formula C112H148BrCl2F3N18O6 and a molecular weight of 2050.34 g/mol. Its IUPAC name is N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide
PubChem CID159583951
Molecular FormulaC112H148BrCl2F3N18O6
Molecular Weight2050.34 g/mol
Exact Mass2047.03
IUPAC NameN-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Br)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(F)F)cc2n1C1CCC1.CC(C)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.CC(C)c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.CC1(CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)CCC1.C[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)C1CC(C)(F)C1
InChIInChI=1S/2C20H29N3O.C19H23ClFN3O.C18H22ClN3O.C18H23F2N3O.C17H22BrN3O/c1-13(2)14-9-10-16-17(11-14)23(15-7-6-8-15)19(21-16)22-18(24)12-20(3,4)5;1-12(2)14(5)19(24)22-20-21-17-10-9-15(13(3)4)11-18(17)23(20)16-7-6-8-16;1-11(12-9-19(2,21)10-12)17(25)23-18-22-15-7-6-13(20)8-16(15)24(18)14-4-3-5-14;1-18(8-3-9-18)11-16(23)21-17-20-14-7-6-12(19)10-15(14)22(17)13-4-2-5-13;1-18(2,3)10-15(24)22-17-21-13-8-7-11(16(19)20)9-14(13)23(17)12-5-4-6-12;1-17(2,3)10-15(22)20-16-19-13-8-7-11(18)9-14(13)21(16)12-5-4-6-12/h9-11,13,15H,6-8,12H2,1-5H3,(H,21,22,24);9-14,16H,6-8H2,1-5H3,(H,21,22,24);6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,23,25);6-7,10,13H,2-5,8-9,11H2,1H3,(H,20,21,23);7-9,12,16H,4-6,10H2,1-3H3,(H,21,22,24);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)/t;14-;11-,12?,19?;;;/m.00.../s1
InChIKeyMJJJSXXSARJDEP-XRFLCOLVSA-N
XLogP30.41
TPSA281.52 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002050.34
LogP ≤ 530.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
The IUPAC name of N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide (CID 159583951) is N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(Br)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(F)F)cc2n1C1CCC1.CC(C)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.CC(C)c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.CC1(CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)CCC1.C[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)C1CC(C)(F)C1.
What is the InChIKey of N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
The InChIKey is MJJJSXXSARJDEP-XRFLCOLVSA-N. The full InChI is InChI=1S/2C20H29N3O.C19H23ClFN3O.C18H22ClN3O.C18H23F2N3O.C17H22BrN3O/c1-13(2)14-9-10-16-17(11-14)23(15-7-6-8-15)19(21-16)22-18(24)12-20(3,4)5;1-12(2)14(5)19(24)22-20-21-17-10-9-15(13(3)4)11-18(17)23(20)16-7-6-8-16;1-11(12-9-19(2,21)10-12)17(25)23-18-22-15-7-6-13(20)8-16(15)24(18)14-4-3-5-14;1-18(8-3-9-18)11-16(23)21-17-20-14-7-6-12(19)10-15(14)22(17)13-4-2-5-13;1-18(2,3)10-15(24)22-17-21-13-8-7-11(16(19)20)9-14(13)23(17)12-5-4-6-12;1-17(2,3)10-15(22)20-16-19-13-8-7-11(18)9-14(13)21(16)12-5-4-6-12/h9-11,13,15H,6-8,12H2,1-5H3,(H,21,22,24);9-14,16H,6-8H2,1-5H3,(H,21,22,24);6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,23,25);6-7,10,13H,2-5,8-9,11H2,1H3,(H,20,21,23);7-9,12,16H,4-6,10H2,1-3H3,(H,21,22,24);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)/t;14-;11-,12?,19?;;;/m.00.../s1.
What are the key properties of N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide has a molecular weight of 2050.34 g/mol, XLogP of 30.41, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide;N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(difluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-propan-2-ylbenzimidazol-2-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 159583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).