(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C19H24F3N3O — CID 99627431

IUPAC(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
InChIInChI=1S/C19H24F3N3O/c1-18(2)16(12-7-8-26-17(12)18)24(3)10-15-23-13-9-11(19(20,21)22)5-6-14(13)25(15)4/h5-6,9,12,16-17H,7-8,10H2,1-4H3/t12-,16+,17-/m0/s1
InChIKeySWDJSCRRPAZNNT-VUCTXSBTSA-N
MW367.42 g/mol
LogP3.84
Rot. Bonds3

About (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 99627431) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID99627431
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
InChIInChI=1S/C19H24F3N3O/c1-18(2)16(12-7-8-26-17(12)18)24(3)10-15-23-13-9-11(19(20,21)22)5-6-14(13)25(15)4/h5-6,9,12,16-17H,7-8,10H2,1-4H3/t12-,16+,17-/m0/s1
InChIKeySWDJSCRRPAZNNT-VUCTXSBTSA-N
XLogP3.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
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N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
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(1R,5S,6R)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 124840648
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
CID 118778674
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 129422026
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922
cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 99627431) is (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C.
What is the InChIKey of (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is SWDJSCRRPAZNNT-VUCTXSBTSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-18(2)16(12-7-8-26-17(12)18)24(3)10-15-23-13-9-11(19(20,21)22)5-6-14(13)25(15)4/h5-6,9,12,16-17H,7-8,10H2,1-4H3/t12-,16+,17-/m0/s1.
What are the key properties of (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 367.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 99627431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).