N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide

C11H14F3N3O — CID 81257342

IUPACN-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)n1ccnc1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-9(6-8)16-10(18)17-5-4-15-7-17/h4-5,7-9H,1-3,6H2,(H,16,18)
InChIKeyQNNRHBPTXUNGJN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.56
Rot. Bonds1

About N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide

N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide (PubChem CID 81257342) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide
PubChem CID81257342
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)n1ccnc1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-9(6-8)16-10(18)17-5-4-15-7-17/h4-5,7-9H,1-3,6H2,(H,16,18)
InChIKeyQNNRHBPTXUNGJN-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide (CID 81257342) is N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)n1ccnc1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide?
The InChIKey is QNNRHBPTXUNGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-9(6-8)16-10(18)17-5-4-15-7-17/h4-5,7-9H,1-3,6H2,(H,16,18).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).