2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide

C19H22F2N4O2 — CID 177113684

IUPAC2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide
SMILESCC(C(N)=O)(c1cn2c(n1)CC[C@@H]2c1cc(F)cc(F)c1)N1CCOCC1
InChIInChI=1S/C19H22F2N4O2/c1-19(18(22)26,24-4-6-27-7-5-24)16-11-25-15(2-3-17(25)23-16)12-8-13(20)10-14(21)9-12/h8-11,15H,2-7H2,1H3,(H2,22,26)/t15-,19?/m1/s1
InChIKeyNTCQQOFSQQUSJH-NYRJJRHWSA-N
MW376.41 g/mol
LogP1.73
Rot. Bonds4

About 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide

2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide (PubChem CID 177113684) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide
PubChem CID177113684
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide
SMILESCC(C(N)=O)(c1cn2c(n1)CC[C@@H]2c1cc(F)cc(F)c1)N1CCOCC1
InChIInChI=1S/C19H22F2N4O2/c1-19(18(22)26,24-4-6-27-7-5-24)16-11-25-15(2-3-17(25)23-16)12-8-13(20)10-14(21)9-12/h8-11,15H,2-7H2,1H3,(H2,22,26)/t15-,19?/m1/s1
InChIKeyNTCQQOFSQQUSJH-NYRJJRHWSA-N
XLogP1.73
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide?
The IUPAC name of 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide (CID 177113684) is 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide is CC(C(N)=O)(c1cn2c(n1)CC[C@@H]2c1cc(F)cc(F)c1)N1CCOCC1.
What is the InChIKey of 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide?
The InChIKey is NTCQQOFSQQUSJH-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-19(18(22)26,24-4-6-27-7-5-24)16-11-25-15(2-3-17(25)23-16)12-8-13(20)10-14(21)9-12/h8-11,15H,2-7H2,1H3,(H2,22,26)/t15-,19?/m1/s1.
What are the key properties of 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide?
2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide has a molecular weight of 376.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 177113684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).