N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

C11H16F3N3O — CID 81257495

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)n1ccnc1
InChIInChI=1S/C11H16F3N3O/c1-3-9(4-2)17(7-11(12,13)14)10(18)16-6-5-15-8-16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNSWZIVDFBXBTPJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.90
Rot. Bonds4

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (PubChem CID 81257495) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
PubChem CID81257495
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)n1ccnc1
InChIInChI=1S/C11H16F3N3O/c1-3-9(4-2)17(7-11(12,13)14)10(18)16-6-5-15-8-16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNSWZIVDFBXBTPJ-UHFFFAOYSA-N
XLogP2.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (CID 81257495) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)n1ccnc1.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The InChIKey is NSWZIVDFBXBTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-9(4-2)17(7-11(12,13)14)10(18)16-6-5-15-8-16/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).