N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C20H21F3N4O2 — CID 11188955

IUPACN-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)Nc1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C
InChIInChI=1S/C20H21F3N4O2/c1-12(2)24-19-26-16-9-6-14(10-17(16)27(19)3)25-18(28)11-29-15-7-4-13(5-8-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyYFLYQHULFMRTHA-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.43
Rot. Bonds6

About N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 11188955) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID11188955
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)Nc1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C
InChIInChI=1S/C20H21F3N4O2/c1-12(2)24-19-26-16-9-6-14(10-17(16)27(19)3)25-18(28)11-29-15-7-4-13(5-8-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyYFLYQHULFMRTHA-UHFFFAOYSA-N
XLogP4.43
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 11188955) is N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CC(C)Nc1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C.
What is the InChIKey of N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YFLYQHULFMRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-12(2)24-19-26-16-9-6-14(10-17(16)27(19)3)25-18(28)11-29-15-7-4-13(5-8-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 406.41 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 11188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).