N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C20H27F3N4O — CID 119823146

IUPACN-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C1CCNCC1
InChIInChI=1S/C20H27F3N4O/c1-4-11-26(15-7-9-24-10-8-15)18(28)14-5-6-17-16(12-14)25-19(20(21,22)23)27(17)13(2)3/h5-6,12-13,15,24H,4,7-11H2,1-3H3
InChIKeyVSPWNLKHZOVUFQ-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.24
Rot. Bonds5

About N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 119823146) has the molecular formula C20H27F3N4O and a molecular weight of 396.46 g/mol. Its IUPAC name is N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID119823146
Molecular FormulaC20H27F3N4O
Molecular Weight396.46 g/mol
Exact Mass396.21
IUPAC NameN-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C1CCNCC1
InChIInChI=1S/C20H27F3N4O/c1-4-11-26(15-7-9-24-10-8-15)18(28)14-5-6-17-16(12-14)25-19(20(21,22)23)27(17)13(2)3/h5-6,12-13,15,24H,4,7-11H2,1-3H3
InChIKeyVSPWNLKHZOVUFQ-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
CID 119533539
N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119424364
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone;dihydrochloride
CID 120659671
2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119531604
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119572382
N-piperidin-4-yl-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 119823212
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 119823146) is N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide is CCCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is VSPWNLKHZOVUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O/c1-4-11-26(15-7-9-24-10-8-15)18(28)14-5-6-17-16(12-14)25-19(20(21,22)23)27(17)13(2)3/h5-6,12-13,15,24H,4,7-11H2,1-3H3.
What are the key properties of N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 119823146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).