N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C16H19F3N4O3 — CID 86868473

IUPACN-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1
InChIInChI=1S/C16H19F3N4O3/c17-16(18,19)10-26-9-15(24)20-11-1-2-12-13(7-11)22-14(21-12)8-23-3-5-25-6-4-23/h1-2,7H,3-6,8-10H2,(H,20,24)(H,21,22)
InChIKeyCPITVXQZWDBRMI-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86868473) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86868473
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC NameN-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1
InChIInChI=1S/C16H19F3N4O3/c17-16(18,19)10-26-9-15(24)20-11-1-2-12-13(7-11)22-14(21-12)8-23-3-5-25-6-4-23/h1-2,7H,3-6,8-10H2,(H,20,24)(H,21,22)
InChIKeyCPITVXQZWDBRMI-UHFFFAOYSA-N
XLogP1.91
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86868473) is N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CPITVXQZWDBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c17-16(18,19)10-26-9-15(24)20-11-1-2-12-13(7-11)22-14(21-12)8-23-3-5-25-6-4-23/h1-2,7H,3-6,8-10H2,(H,20,24)(H,21,22).
What are the key properties of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 372.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86868473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).