N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide

C20H21F3N4O2 — CID 59530585

IUPACN-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-4-27(5-2)16-11-14-13(10-15(16)26-19(28)20(21,22)23)24-18(25-14)12-8-6-7-9-17(12)29-3/h6-11H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyVQLQVAVEGSWOEJ-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.59
Rot. Bonds6

About N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide

N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 59530585) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID59530585
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-4-27(5-2)16-11-14-13(10-15(16)26-19(28)20(21,22)23)24-18(25-14)12-8-6-7-9-17(12)29-3/h6-11H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyVQLQVAVEGSWOEJ-UHFFFAOYSA-N
XLogP4.59
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide (CID 59530585) is N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide is CCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VQLQVAVEGSWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-4-27(5-2)16-11-14-13(10-15(16)26-19(28)20(21,22)23)24-18(25-14)12-8-6-7-9-17(12)29-3/h6-11H,4-5H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide?
N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 406.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59530585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).