N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide

C19H22ClF2N3O2 — CID 129075885

IUPACN-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
SMILESO=C(CC(O)(CF)CF)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1
InChIInChI=1S/C19H22ClF2N3O2/c20-14-6-12(11-4-5-11)7-15-17(14)24-18(25(15)13-2-1-3-13)23-16(26)8-19(27,9-21)10-22/h6-7,11,13,27H,1-5,8-10H2,(H,23,24,26)
InChIKeyLAADSEUJAQVOGH-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.29
Rot. Bonds7

About N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide

N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide (PubChem CID 129075885) has the molecular formula C19H22ClF2N3O2 and a molecular weight of 397.85 g/mol. Its IUPAC name is N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
PubChem CID129075885
Molecular FormulaC19H22ClF2N3O2
Molecular Weight397.85 g/mol
Exact Mass397.14
IUPAC NameN-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
SMILESO=C(CC(O)(CF)CF)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1
InChIInChI=1S/C19H22ClF2N3O2/c20-14-6-12(11-4-5-11)7-15-17(14)24-18(25(15)13-2-1-3-13)23-16(26)8-19(27,9-21)10-22/h6-7,11,13,27H,1-5,8-10H2,(H,23,24,26)
InChIKeyLAADSEUJAQVOGH-UHFFFAOYSA-N
XLogP4.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
The IUPAC name of N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide (CID 129075885) is N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide.
What is the SMILES notation for N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
The canonical SMILES for N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide is O=C(CC(O)(CF)CF)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1.
What is the InChIKey of N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
The InChIKey is LAADSEUJAQVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2N3O2/c20-14-6-12(11-4-5-11)7-15-17(14)24-18(25(15)13-2-1-3-13)23-16(26)8-19(27,9-21)10-22/h6-7,11,13,27H,1-5,8-10H2,(H,23,24,26).
What are the key properties of N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide has a molecular weight of 397.85 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide is sourced from PubChem (CID 129075885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).