(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine

C13H19ClF3N3O — CID 95502324

IUPAC(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCCCc1nc(Cl)c(CN2CCO[C@@H](C(F)(F)F)C2)[nH]1
InChIInChI=1S/C13H19ClF3N3O/c1-2-3-4-11-18-9(12(14)19-11)7-20-5-6-21-10(8-20)13(15,16)17/h10H,2-8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyAKQJSNCRCWXFEH-SNVBAGLBSA-N
MW325.76 g/mol
LogP3.17
Rot. Bonds5

About (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine

(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 95502324) has the molecular formula C13H19ClF3N3O and a molecular weight of 325.76 g/mol. Its IUPAC name is (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID95502324
Molecular FormulaC13H19ClF3N3O
Molecular Weight325.76 g/mol
Exact Mass325.12
IUPAC Name(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCCCc1nc(Cl)c(CN2CCO[C@@H](C(F)(F)F)C2)[nH]1
InChIInChI=1S/C13H19ClF3N3O/c1-2-3-4-11-18-9(12(14)19-11)7-20-5-6-21-10(8-20)13(15,16)17/h10H,2-8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyAKQJSNCRCWXFEH-SNVBAGLBSA-N
XLogP3.17
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 99929827
4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 56874821
4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70752341
(1S,9S)-11-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118792438
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
CID 10404561
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697
(3aS,6aS)-5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70780165
9-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899423
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
9-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56908339

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine (CID 95502324) is (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine is CCCCc1nc(Cl)c(CN2CCO[C@@H](C(F)(F)F)C2)[nH]1.
What is the InChIKey of (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is AKQJSNCRCWXFEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19ClF3N3O/c1-2-3-4-11-18-9(12(14)19-11)7-20-5-6-21-10(8-20)13(15,16)17/h10H,2-8H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine?
(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 325.76 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95502324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).