4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane

C49H58F2N10 — CID 158464285

About 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane

4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane (PubChem CID 158464285) has the molecular formula C49H58F2N10 and a molecular weight of 825.07 g/mol. Its IUPAC name is 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane.

Molecular Properties

• Compound Name: 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane
• PubChem CID: 158464285
• Molecular Formula: C49H58F2N10
• Molecular Weight: 825.07 g/mol
• Exact Mass: 824.48
• IUPAC Name: 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane
• SMILES: C.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](C=C2CCCC2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CC2CCCC2)CC3)n1
• InChI: InChI=1S/C24H28FN5.C24H26FN5.CH4/c2*1-2-26-24-27-14-13-20(28-24)23-22(17-7-9-18(25)10-8-17)29-21-12-11-19(30(21)23)15-16-5-3-4-6-16;/h7-10,13-14,16,19H,2-6,11-12,15H2,1H3,(H,26,27,28);7-10,13-15,19H,2-6,11-12H2,1H3,(H,26,27,28);1H4/t2*19-;/m00./s1
• InChIKey: HFOGJGBZBOUAJJ-UFEREZMFSA-N
• XLogP: 11.85
• TPSA: 111.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.07
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane?

The IUPAC name of 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane (CID 158464285) is 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane.

What is the SMILES notation for 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane?

The canonical SMILES for 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane is C.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](C=C2CCCC2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CC2CCCC2)CC3)n1.

What is the InChIKey of 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane?

The InChIKey is HFOGJGBZBOUAJJ-UFEREZMFSA-N. The full InChI is InChI=1S/C24H28FN5.C24H26FN5.CH4/c2*1-2-26-24-27-14-13-20(28-24)23-22(17-7-9-18(25)10-8-17)29-21-12-11-19(30(21)23)15-16-5-3-4-6-16;/h7-10,13-14,16,19H,2-6,11-12,15H2,1H3,(H,26,27,28);7-10,13-15,19H,2-6,11-12H2,1H3,(H,26,27,28);1H4/t2*19-;/m00./s1.

What are the key properties of 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane?

4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane has a molecular weight of 825.07 g/mol, XLogP of 11.85, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5S)-5-(cyclopentylidenemethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-(cyclopentylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;methane is sourced from PubChem (CID 158464285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).