N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

C18H23F2N3O3 — CID 129064913

IUPACN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1
InChIInChI=1S/C18H23F2N3O3/c1-17(2,25)10-14(24)22-16-21-12-6-5-11(26-15(19)20)9-13(12)23(16)18(3)7-4-8-18/h5-6,9,15,25H,4,7-8,10H2,1-3H3,(H,21,22,24)
InChIKeyQHQSHKGQSYWALU-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.64
Rot. Bonds6

About N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 129064913) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID129064913
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC NameN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1
InChIInChI=1S/C18H23F2N3O3/c1-17(2,25)10-14(24)22-16-21-12-6-5-11(26-15(19)20)9-13(12)23(16)18(3)7-4-8-18/h5-6,9,15,25H,4,7-8,10H2,1-3H3,(H,21,22,24)
InChIKeyQHQSHKGQSYWALU-UHFFFAOYSA-N
XLogP3.64
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (CID 129064913) is N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1.
What is the InChIKey of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is QHQSHKGQSYWALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-17(2,25)10-14(24)22-16-21-12-6-5-11(26-15(19)20)9-13(12)23(16)18(3)7-4-8-18/h5-6,9,15,25H,4,7-8,10H2,1-3H3,(H,21,22,24).
What are the key properties of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 367.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 129064913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).