4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C24H19ClF3N3O2 — CID 44535364

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H19ClF3N3O2/c1-2-33-21-11-15(23(32)29-13-14-4-3-5-16(10-14)24(26,27)28)6-8-18(21)22-30-19-9-7-17(25)12-20(19)31-22/h3-12H,2,13H2,1H3,(H,29,32)(H,30,31)
InChIKeyDHFSMINUKMJICC-UHFFFAOYSA-N
MW473.88 g/mol
LogP6.23
Rot. Bonds6

About 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 44535364) has the molecular formula C24H19ClF3N3O2 and a molecular weight of 473.88 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID44535364
Molecular FormulaC24H19ClF3N3O2
Molecular Weight473.88 g/mol
Exact Mass473.11
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H19ClF3N3O2/c1-2-33-21-11-15(23(32)29-13-14-4-3-5-16(10-14)24(26,27)28)6-8-18(21)22-30-19-9-7-17(25)12-20(19)31-22/h3-12H,2,13H2,1H3,(H,29,32)(H,30,31)
InChIKeyDHFSMINUKMJICC-UHFFFAOYSA-N
XLogP6.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.88
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 44535364) is 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is DHFSMINUKMJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O2/c1-2-33-21-11-15(23(32)29-13-14-4-3-5-16(10-14)24(26,27)28)6-8-18(21)22-30-19-9-7-17(25)12-20(19)31-22/h3-12H,2,13H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 473.88 g/mol, XLogP of 6.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 44535364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).