N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide

C19H20F3N3O2 — CID 146643943

IUPACN-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCOc1ccc2c(c1CNC(=O)c1ccc(C(F)(F)F)cc1)N(C)CN2
InChIInChI=1S/C19H20F3N3O2/c1-3-27-16-9-8-15-17(25(2)11-24-15)14(16)10-23-18(26)12-4-6-13(7-5-12)19(20,21)22/h4-9,24H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyHJUDPFFYQKROAJ-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.85
Rot. Bonds5

About N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 146643943) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID146643943
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCOc1ccc2c(c1CNC(=O)c1ccc(C(F)(F)F)cc1)N(C)CN2
InChIInChI=1S/C19H20F3N3O2/c1-3-27-16-9-8-15-17(25(2)11-24-15)14(16)10-23-18(26)12-4-6-13(7-5-12)19(20,21)22/h4-9,24H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyHJUDPFFYQKROAJ-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide (CID 146643943) is N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide is CCOc1ccc2c(c1CNC(=O)c1ccc(C(F)(F)F)cc1)N(C)CN2.
What is the InChIKey of N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HJUDPFFYQKROAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-3-27-16-9-8-15-17(25(2)11-24-15)14(16)10-23-18(26)12-4-6-13(7-5-12)19(20,21)22/h4-9,24H,3,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-methyl-1,2-dihydrobenzimidazol-4-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 146643943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).