N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide

C22H25N3O3 — CID 139487215

IUPACN-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
SMILESCOc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12
InChIInChI=1S/C22H25N3O3/c1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16/h3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26)
InChIKeyVOPAPPIPLIBZGN-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.01
Rot. Bonds6

About N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide

N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide (PubChem CID 139487215) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
PubChem CID139487215
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
SMILESCOc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12
InChIInChI=1S/C22H25N3O3/c1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16/h3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26)
InChIKeyVOPAPPIPLIBZGN-UHFFFAOYSA-N
XLogP4.01
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide (CID 139487215) is N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide is COc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12.
What is the InChIKey of N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is VOPAPPIPLIBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16/h3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26).
What are the key properties of N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide?
N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 379.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 139487215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).