[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone

C19H25F3N4O — CID 119592842

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1
InChIInChI=1S/C19H25F3N4O/c1-11(2)26-16-7-6-13(9-15(16)24-18(26)19(20,21)22)17(27)25-8-4-5-14(10-25)12(3)23/h6-7,9,11-12,14H,4-5,8,10,23H2,1-3H3
InChIKeyVNFFIDRUILZELC-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.84
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone (PubChem CID 119592842) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
PubChem CID119592842
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1
InChIInChI=1S/C19H25F3N4O/c1-11(2)26-16-7-6-13(9-15(16)24-18(26)19(20,21)22)17(27)25-8-4-5-14(10-25)12(3)23/h6-7,9,11-12,14H,4-5,8,10,23H2,1-3H3
InChIKeyVNFFIDRUILZELC-UHFFFAOYSA-N
XLogP3.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366163
[(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
[4-(ethylaminomethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 119644305
[(3S)-3-hydroxy-2,2-dimethylpyrrolidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 124726708
[3-(1-aminoethyl)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119594442
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone
CID 124592263
[3-(1-aminoethyl)piperidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 86813854
[3-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879665
N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119424364
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124592426
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
N-[2-(aminomethyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119609318

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone (CID 119592842) is [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone is CC(N)C1CCCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The InChIKey is VNFFIDRUILZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-11(2)26-16-7-6-13(9-15(16)24-18(26)19(20,21)22)17(27)25-8-4-5-14(10-25)12(3)23/h6-7,9,11-12,14H,4-5,8,10,23H2,1-3H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone has a molecular weight of 382.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 119592842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).