N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C15H16F3N3O — CID 164633867

IUPACN-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESC[C@@H](CCNC(=O)c1nc[nH]c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H16F3N3O/c1-10(11-5-3-2-4-6-11)7-8-19-14(22)12-13(15(16,17)18)21-9-20-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyWOFLWPNLBZWOOL-JTQLQIEISA-N
MW311.31 g/mol
LogP3.35
Rot. Bonds5

About N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 164633867) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID164633867
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESC[C@@H](CCNC(=O)c1nc[nH]c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H16F3N3O/c1-10(11-5-3-2-4-6-11)7-8-19-14(22)12-13(15(16,17)18)21-9-20-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyWOFLWPNLBZWOOL-JTQLQIEISA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
N-(3-phenylbutyl)benzamide
CID 62403316
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
2-(aminomethyl)-5-methyl-N-(3-phenylbutyl)pyrimidine-4-carboxamide
CID 166839536
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 164633867) is N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is C[C@@H](CCNC(=O)c1nc[nH]c1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is WOFLWPNLBZWOOL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10(11-5-3-2-4-6-11)7-8-19-14(22)12-13(15(16,17)18)21-9-20-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1.
What are the key properties of N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 164633867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).