N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

C20H18F3N3O2 — CID 71885632

IUPACN-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)ccc21
InChIInChI=1S/C20H18F3N3O2/c1-25-17-9-6-12(10-16(17)24-19(25)28)18(27)26(14-7-8-14)11-13-4-2-3-5-15(13)20(21,22)23/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,28)
InChIKeyRJAHDUGQWDAZOA-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 71885632) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID71885632
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)ccc21
InChIInChI=1S/C20H18F3N3O2/c1-25-17-9-6-12(10-16(17)24-19(25)28)18(27)26(14-7-8-14)11-13-4-2-3-5-15(13)20(21,22)23/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,28)
InChIKeyRJAHDUGQWDAZOA-UHFFFAOYSA-N
XLogP3.69
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (CID 71885632) is N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RJAHDUGQWDAZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-25-17-9-6-12(10-16(17)24-19(25)28)18(27)26(14-7-8-14)11-13-4-2-3-5-15(13)20(21,22)23/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,28).
What are the key properties of N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71885632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).