(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C19H24F2N4 — CID 100894082

IUPAC(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)n1ccnc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21
InChIInChI=1S/C19H24F2N4/c20-19(21)25-9-8-22-18(25)10-23-17-7-6-15-12-24(13-16(15)17)11-14-4-2-1-3-5-14/h1-5,8-9,15-17,19,23H,6-7,10-13H2/t15-,16-,17-/m1/s1
InChIKeyVZIMUWYGJRWEGM-BRWVUGGUSA-N
MW346.42 g/mol
LogP3.28
Rot. Bonds6

About (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 100894082) has the molecular formula C19H24F2N4 and a molecular weight of 346.42 g/mol. Its IUPAC name is (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID100894082
Molecular FormulaC19H24F2N4
Molecular Weight346.42 g/mol
Exact Mass346.20
IUPAC Name(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)n1ccnc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21
InChIInChI=1S/C19H24F2N4/c20-19(21)25-9-8-22-18(25)10-23-17-7-6-15-12-24(13-16(15)17)11-14-4-2-1-3-5-14/h1-5,8-9,15-17,19,23H,6-7,10-13H2/t15-,16-,17-/m1/s1
InChIKeyVZIMUWYGJRWEGM-BRWVUGGUSA-N
XLogP3.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Related Compounds

(3aR,4R,6aR)-2-benzyl-N-(1,3-thiazol-5-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854119
(3aR,4S,6aR)-2-benzyl-N-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854124
2-benzyl-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;dihydrochloride
CID 126845066
(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)thiourea
CID 130624142
3-[[(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]methyl]pentan-1-ol
CID 110021957
(3aR,4S,6aR)-2-benzyl-N-[2-(1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 124734886
(3aS,4R,6aS)-2-benzyl-N-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99858578
1-[(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110021873
N-[2-[[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]ethyl]acetamide
CID 99579246
1-[[2-[[[(3aR,4R,8aR)-2-benzyl-3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrol-4-yl]amino]methyl]phenyl]methyl]piperidin-4-ol
CID 100705836
(3aS,4R,7aR)-2-benzyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 129446459
(3aS,4S,7aR)-2-benzyl-N-(thiadiazol-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 129374163

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 100894082) is (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is FC(F)n1ccnc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21.
What is the InChIKey of (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is VZIMUWYGJRWEGM-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H24F2N4/c20-19(21)25-9-8-22-18(25)10-23-17-7-6-15-12-24(13-16(15)17)11-14-4-2-1-3-5-14/h1-5,8-9,15-17,19,23H,6-7,10-13H2/t15-,16-,17-/m1/s1.
What are the key properties of (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 346.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aS)-2-benzyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 100894082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).