N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide

C19H16F3N3O3 — CID 143922291

IUPACN-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1cccc2c1NC(c1cccc(C(F)(F)F)c1)N2
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)11-4-1-3-10(9-11)16-23-13-6-2-5-12(15(13)25-16)17(26)24-14-7-8-28-18(14)27/h1-6,9,14,16,23,25H,7-8H2,(H,24,26)
InChIKeyOKHOTXOWUKRYBH-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.29
Rot. Bonds3

About N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide

N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide (PubChem CID 143922291) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide
PubChem CID143922291
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1cccc2c1NC(c1cccc(C(F)(F)F)c1)N2
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)11-4-1-3-10(9-11)16-23-13-6-2-5-12(15(13)25-16)17(26)24-14-7-8-28-18(14)27/h1-6,9,14,16,23,25H,7-8H2,(H,24,26)
InChIKeyOKHOTXOWUKRYBH-UHFFFAOYSA-N
XLogP3.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide (CID 143922291) is N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide is O=C(NC1CCOC1=O)c1cccc2c1NC(c1cccc(C(F)(F)F)c1)N2.
What is the InChIKey of N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide?
The InChIKey is OKHOTXOWUKRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)11-4-1-3-10(9-11)16-23-13-6-2-5-12(15(13)25-16)17(26)24-14-7-8-28-18(14)27/h1-6,9,14,16,23,25H,7-8H2,(H,24,26).
What are the key properties of N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide?
N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 143922291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).