N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide

C23H17F2N3O3 — CID 166155644

IUPACN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide
SMILESO=CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)c1
InChIInChI=1S/C23H17F2N3O3/c24-23(25)28-20-7-2-1-6-19(20)27-21(28)15-8-10-17(11-9-15)26-22(30)16-4-3-5-18(14-16)31-13-12-29/h1-12,14,23H,13H2,(H,26,30)
InChIKeyJEEJWQVECNVBJB-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.93
Rot. Bonds7

About N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide (PubChem CID 166155644) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide
PubChem CID166155644
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide
SMILESO=CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)c1
InChIInChI=1S/C23H17F2N3O3/c24-23(25)28-20-7-2-1-6-19(20)27-21(28)15-8-10-17(11-9-15)26-22(30)16-4-3-5-18(14-16)31-13-12-29/h1-12,14,23H,13H2,(H,26,30)
InChIKeyJEEJWQVECNVBJB-UHFFFAOYSA-N
XLogP4.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
CID 17438775
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16581032
2-bromo-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-4-fluorobenzamide
CID 16602781
(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 18286599
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]urea
CID 167815203
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 24599606
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 25334762
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide?
The IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide (CID 166155644) is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide.
What is the SMILES notation for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide?
The canonical SMILES for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide is O=CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)c1.
What is the InChIKey of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide?
The InChIKey is JEEJWQVECNVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c24-23(25)28-20-7-2-1-6-19(20)27-21(28)15-8-10-17(11-9-15)26-22(30)16-4-3-5-18(14-16)31-13-12-29/h1-12,14,23H,13H2,(H,26,30).
What are the key properties of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide?
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide has a molecular weight of 421.40 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide is sourced from PubChem (CID 166155644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).