N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide

C97H109ClF13N17O5 — CID 161423688

IUPACN-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide
SMILESCC(C(=O)Nc1nc2cc(F)c(F)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(CC(=O)Nc1nc2ccc(F)c(C#N)c2n1C1(C)CCC1)C1CC1.CC1(CC(=O)Nc2nc3cc(F)c(F)cc3n2C2(C)CCC2)CC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(Cl)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1
InChIInChI=1S/C21H25FN4O.C20H20F4N4O.C19H20ClF4N3O.C19H23F2N3O.C18H21F2N3O/c1-20(2,13-5-6-13)11-17(27)25-19-24-16-8-7-15(22)14(12-23)18(16)26(19)21(3)9-4-10-21;1-18(6-3-7-18)28-16-12(10-25)13(21)4-5-14(16)26-17(28)27-15(29)8-11-9-20(23,24)19(11,2)22;1-17(4-3-5-17)27-14-7-11(20)12(21)8-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22;1-11(18(2)7-8-18)16(25)23-17-22-14-9-12(20)13(21)10-15(14)24(17)19(3)5-4-6-19;1-17(6-7-17)10-15(24)22-16-21-13-8-11(19)12(20)9-14(13)23(16)18(2)4-3-5-18/h7-8,13H,4-6,9-11H2,1-3H3,(H,24,25,27);4-5,11H,3,6-9H2,1-2H3,(H,26,27,29);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28);9-11H,4-8H2,1-3H3,(H,22,23,25);8-9H,3-7,10H2,1-2H3,(H,21,22,24)
InChIKeyVXBNVGWXTCKWLO-UHFFFAOYSA-N
MW1875.48 g/mol
LogP23.74
Rot. Bonds21

About N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide

N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide (PubChem CID 161423688) has the molecular formula C97H109ClF13N17O5 and a molecular weight of 1875.48 g/mol. Its IUPAC name is N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide.

Molecular Properties

Compound NameN-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide
PubChem CID161423688
Molecular FormulaC97H109ClF13N17O5
Molecular Weight1875.48 g/mol
Exact Mass1873.83
IUPAC NameN-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide
SMILESCC(C(=O)Nc1nc2cc(F)c(F)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(CC(=O)Nc1nc2ccc(F)c(C#N)c2n1C1(C)CCC1)C1CC1.CC1(CC(=O)Nc2nc3cc(F)c(F)cc3n2C2(C)CCC2)CC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(Cl)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1
InChIInChI=1S/C21H25FN4O.C20H20F4N4O.C19H20ClF4N3O.C19H23F2N3O.C18H21F2N3O/c1-20(2,13-5-6-13)11-17(27)25-19-24-16-8-7-15(22)14(12-23)18(16)26(19)21(3)9-4-10-21;1-18(6-3-7-18)28-16-12(10-25)13(21)4-5-14(16)26-17(28)27-15(29)8-11-9-20(23,24)19(11,2)22;1-17(4-3-5-17)27-14-7-11(20)12(21)8-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22;1-11(18(2)7-8-18)16(25)23-17-22-14-9-12(20)13(21)10-15(14)24(17)19(3)5-4-6-19;1-17(6-7-17)10-15(24)22-16-21-13-8-11(19)12(20)9-14(13)23(16)18(2)4-3-5-18/h7-8,13H,4-6,9-11H2,1-3H3,(H,24,25,27);4-5,11H,3,6-9H2,1-2H3,(H,26,27,29);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28);9-11H,4-8H2,1-3H3,(H,22,23,25);8-9H,3-7,10H2,1-2H3,(H,21,22,24)
InChIKeyVXBNVGWXTCKWLO-UHFFFAOYSA-N
XLogP23.74
TPSA282.18 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.48
LogP ≤ 523.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide?
The IUPAC name of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide (CID 161423688) is N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide.
What is the SMILES notation for N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide?
The canonical SMILES for N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide is CC(C(=O)Nc1nc2cc(F)c(F)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(CC(=O)Nc1nc2ccc(F)c(C#N)c2n1C1(C)CCC1)C1CC1.CC1(CC(=O)Nc2nc3cc(F)c(F)cc3n2C2(C)CCC2)CC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(Cl)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1.
What is the InChIKey of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide?
The InChIKey is VXBNVGWXTCKWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O.C20H20F4N4O.C19H20ClF4N3O.C19H23F2N3O.C18H21F2N3O/c1-20(2,13-5-6-13)11-17(27)25-19-24-16-8-7-15(22)14(12-23)18(16)26(19)21(3)9-4-10-21;1-18(6-3-7-18)28-16-12(10-25)13(21)4-5-14(16)26-17(28)27-15(29)8-11-9-20(23,24)19(11,2)22;1-17(4-3-5-17)27-14-7-11(20)12(21)8-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22;1-11(18(2)7-8-18)16(25)23-17-22-14-9-12(20)13(21)10-15(14)24(17)19(3)5-4-6-19;1-17(6-7-17)10-15(24)22-16-21-13-8-11(19)12(20)9-14(13)23(16)18(2)4-3-5-18/h7-8,13H,4-6,9-11H2,1-3H3,(H,24,25,27);4-5,11H,3,6-9H2,1-2H3,(H,26,27,29);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28);9-11H,4-8H2,1-3H3,(H,22,23,25);8-9H,3-7,10H2,1-2H3,(H,21,22,24).
What are the key properties of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide?
N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide has a molecular weight of 1875.48 g/mol, XLogP of 23.74, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide is sourced from PubChem (CID 161423688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).