N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 154764249

IUPACN-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)c1ncc[nH]1
InChIInChI=1S/C13H18F3N3O/c1-9(10-17-7-8-18-10)19-11(20)12(13(14,15)16)5-3-2-4-6-12/h7-9H,2-6H2,1H3,(H,17,18)(H,19,20)/t9-/m1/s1
InChIKeyANWKMFBZXNXQCG-SECBINFHSA-N
MW289.30 g/mol
LogP3.10
Rot. Bonds3

About N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 154764249) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID154764249
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)c1ncc[nH]1
InChIInChI=1S/C13H18F3N3O/c1-9(10-17-7-8-18-10)19-11(20)12(13(14,15)16)5-3-2-4-6-12/h7-9H,2-6H2,1H3,(H,17,18)(H,19,20)/t9-/m1/s1
InChIKeyANWKMFBZXNXQCG-SECBINFHSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide (CID 154764249) is N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)c1ncc[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ANWKMFBZXNXQCG-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9(10-17-7-8-18-10)19-11(20)12(13(14,15)16)5-3-2-4-6-12/h7-9H,2-6H2,1H3,(H,17,18)(H,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 154764249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).