4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C10H15F3N4O — CID 71150968

IUPAC4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCCCCCNc1nc(C(F)(F)F)[nH]c1C(N)=O
InChIInChI=1S/C10H15F3N4O/c1-2-3-4-5-15-8-6(7(14)18)16-9(17-8)10(11,12)13/h15H,2-5H2,1H3,(H2,14,18)(H,16,17)
InChIKeyKTPZOSBYMWRDNN-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.13
Rot. Bonds6

About 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 71150968) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID71150968
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCCCCCNc1nc(C(F)(F)F)[nH]c1C(N)=O
InChIInChI=1S/C10H15F3N4O/c1-2-3-4-5-15-8-6(7(14)18)16-9(17-8)10(11,12)13/h15H,2-5H2,1H3,(H2,14,18)(H,16,17)
InChIKeyKTPZOSBYMWRDNN-UHFFFAOYSA-N
XLogP2.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 71150968) is 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is CCCCCNc1nc(C(F)(F)F)[nH]c1C(N)=O.
What is the InChIKey of 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is KTPZOSBYMWRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-3-4-5-15-8-6(7(14)18)16-9(17-8)10(11,12)13/h15H,2-5H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 71150968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).