N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C21H23F2N3O3 — CID 18292749

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCc2ccccc2OC(F)F)c2ccccc21
InChIInChI=1S/C21H23F2N3O3/c1-2-12-25-16-8-4-5-9-17(16)26(21(25)28)13-11-19(27)24-14-15-7-3-6-10-18(15)29-20(22)23/h3-10,20H,2,11-14H2,1H3,(H,24,27)
InChIKeyREHRFEJBYYQHQW-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.52
Rot. Bonds9

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 18292749) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID18292749
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCc2ccccc2OC(F)F)c2ccccc21
InChIInChI=1S/C21H23F2N3O3/c1-2-12-25-16-8-4-5-9-17(16)26(21(25)28)13-11-19(27)24-14-15-7-3-6-10-18(15)29-20(22)23/h3-10,20H,2,11-14H2,1H3,(H,24,27)
InChIKeyREHRFEJBYYQHQW-UHFFFAOYSA-N
XLogP3.52
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 18292749) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NCc2ccccc2OC(F)F)c2ccccc21.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is REHRFEJBYYQHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-2-12-25-16-8-4-5-9-17(16)26(21(25)28)13-11-19(27)24-14-15-7-3-6-10-18(15)29-20(22)23/h3-10,20H,2,11-14H2,1H3,(H,24,27).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 403.43 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18292749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).