N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

C116H146F8N18O12 — CID 158968349

IUPACN-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2cc(F)c(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2cc(F)c(C3CC3)cc2n1C1CCC1
InChIInChI=1S/2C20H25F2N3O2.4C19H24FN3O2/c1-2-20(27,11-21)10-17(26)23-19-24-18-15(22)8-13(12-6-7-12)9-16(18)25(19)14-4-3-5-14;1-2-20(27,11-21)10-18(26)24-19-23-16-9-15(22)14(12-6-7-12)8-17(16)25(19)13-4-3-5-13;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;1-19(2,25)10-17(24)22-18-21-15-9-14(20)13(11-6-7-11)8-16(15)23(18)12-4-3-5-12/h8-9,12,14,27H,2-7,10-11H2,1H3,(H,23,24,26);8-9,12-13,27H,2-7,10-11H2,1H3,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);8-9,11-12,25H,3-7,10H2,1-2H3,(H,21,22,24)
InChIKeyJNMLVQNGQUDEJW-UHFFFAOYSA-N
MW2136.54 g/mol
LogP23.94
Rot. Bonds34

About N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 158968349) has the molecular formula C116H146F8N18O12 and a molecular weight of 2136.54 g/mol. Its IUPAC name is N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
PubChem CID158968349
Molecular FormulaC116H146F8N18O12
Molecular Weight2136.54 g/mol
Exact Mass2135.12
IUPAC NameN-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2cc(F)c(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2cc(F)c(C3CC3)cc2n1C1CCC1
InChIInChI=1S/2C20H25F2N3O2.4C19H24FN3O2/c1-2-20(27,11-21)10-17(26)23-19-24-18-15(22)8-13(12-6-7-12)9-16(18)25(19)14-4-3-5-14;1-2-20(27,11-21)10-18(26)24-19-23-16-9-15(22)14(12-6-7-12)8-17(16)25(19)13-4-3-5-13;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;1-19(2,25)10-17(24)22-18-21-15-9-14(20)13(11-6-7-11)8-16(15)23(18)12-4-3-5-12/h8-9,12,14,27H,2-7,10-11H2,1H3,(H,23,24,26);8-9,12-13,27H,2-7,10-11H2,1H3,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);8-9,11-12,25H,3-7,10H2,1-2H3,(H,21,22,24)
InChIKeyJNMLVQNGQUDEJW-UHFFFAOYSA-N
XLogP23.94
TPSA402.90 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002136.54
LogP ≤ 523.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (CID 158968349) is N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2cc(F)c(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2cc(F)c(C3CC3)cc2n1C1CCC1.
What is the InChIKey of N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The InChIKey is JNMLVQNGQUDEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H25F2N3O2.4C19H24FN3O2/c1-2-20(27,11-21)10-17(26)23-19-24-18-15(22)8-13(12-6-7-12)9-16(18)25(19)14-4-3-5-14;1-2-20(27,11-21)10-18(26)24-19-23-16-9-15(22)14(12-6-7-12)8-17(16)25(19)13-4-3-5-13;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;1-19(2,25)10-17(24)22-18-21-15-9-14(20)13(11-6-7-11)8-16(15)23(18)12-4-3-5-12/h8-9,12,14,27H,2-7,10-11H2,1H3,(H,23,24,26);8-9,12-13,27H,2-7,10-11H2,1H3,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);8-9,11-12,25H,3-7,10H2,1-2H3,(H,21,22,24).
What are the key properties of N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 2136.54 g/mol, XLogP of 23.94, 34 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 158968349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).