N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide

C18H21F4N3O3 — CID 159863010

IUPACN-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide
SMILESCCC(O)(CF)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1CCC1
InChIInChI=1S/C18H21F4N3O3/c1-2-18(27,9-19)8-13(26)24-17-23-11-6-7-12(28-16(21)22)14(20)15(11)25(17)10-4-3-5-10/h6-7,10,16,27H,2-5,8-9H2,1H3,(H,23,24,26)
InChIKeyXNACFNDUPYWBRQ-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.94
Rot. Bonds8

About N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide

N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide (PubChem CID 159863010) has the molecular formula C18H21F4N3O3 and a molecular weight of 403.38 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide
PubChem CID159863010
Molecular FormulaC18H21F4N3O3
Molecular Weight403.38 g/mol
Exact Mass403.15
IUPAC NameN-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide
SMILESCCC(O)(CF)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1CCC1
InChIInChI=1S/C18H21F4N3O3/c1-2-18(27,9-19)8-13(26)24-17-23-11-6-7-12(28-16(21)22)14(20)15(11)25(17)10-4-3-5-10/h6-7,10,16,27H,2-5,8-9H2,1H3,(H,23,24,26)
InChIKeyXNACFNDUPYWBRQ-UHFFFAOYSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide 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-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide?
The IUPAC name of N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide (CID 159863010) is N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide?
The canonical SMILES for N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide is CCC(O)(CF)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide?
The InChIKey is XNACFNDUPYWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N3O3/c1-2-18(27,9-19)8-13(26)24-17-23-11-6-7-12(28-16(21)22)14(20)15(11)25(17)10-4-3-5-10/h6-7,10,16,27H,2-5,8-9H2,1H3,(H,23,24,26).
What are the key properties of N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide?
N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide has a molecular weight of 403.38 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide is sourced from PubChem (CID 159863010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).