N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C13H19F3N4O — CID 138035464

IUPACN-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCCCN1CCC[C@H]1CNC(=O)c1nc[nH]c1C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-2-5-20-6-3-4-9(20)7-17-12(21)10-11(13(14,15)16)19-8-18-10/h8-9H,2-7H2,1H3,(H,17,21)(H,18,19)/t9-/m0/s1
InChIKeyHTIWZLASUBEDEK-VIFPVBQESA-N
MW304.32 g/mol
LogP2.03
Rot. Bonds5

About N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 138035464) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID138035464
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCCCN1CCC[C@H]1CNC(=O)c1nc[nH]c1C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-2-5-20-6-3-4-9(20)7-17-12(21)10-11(13(14,15)16)19-8-18-10/h8-9H,2-7H2,1H3,(H,17,21)(H,18,19)/t9-/m0/s1
InChIKeyHTIWZLASUBEDEK-VIFPVBQESA-N
XLogP2.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 138035464) is N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CCCN1CCC[C@H]1CNC(=O)c1nc[nH]c1C(F)(F)F.
What is the InChIKey of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is HTIWZLASUBEDEK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-5-20-6-3-4-9(20)7-17-12(21)10-11(13(14,15)16)19-8-18-10/h8-9H,2-7H2,1H3,(H,17,21)(H,18,19)/t9-/m0/s1.
What are the key properties of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138035464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).