2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide

C24H24ClFN4O2 — CID 134369736

IUPAC2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)cnc1OC1CCC1
InChIInChI=1S/C24H24ClFN4O2/c25-19-9-15(6-7-20(19)26)10-23(31)27-13-17-11-16(12-28-24(17)32-18-3-1-4-18)21-14-30-8-2-5-22(30)29-21/h6-7,9,11-12,14,18H,1-5,8,10,13H2,(H,27,31)
InChIKeyLMJDMZPKEMJYSW-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.47
Rot. Bonds7

About 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide

2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 134369736) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide
PubChem CID134369736
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)cnc1OC1CCC1
InChIInChI=1S/C24H24ClFN4O2/c25-19-9-15(6-7-20(19)26)10-23(31)27-13-17-11-16(12-28-24(17)32-18-3-1-4-18)21-14-30-8-2-5-22(30)29-21/h6-7,9,11-12,14,18H,1-5,8,10,13H2,(H,27,31)
InChIKeyLMJDMZPKEMJYSW-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide (CID 134369736) is 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide is O=C(Cc1ccc(F)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)cnc1OC1CCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is LMJDMZPKEMJYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c25-19-9-15(6-7-20(19)26)10-23(31)27-13-17-11-16(12-28-24(17)32-18-3-1-4-18)21-14-30-8-2-5-22(30)29-21/h6-7,9,11-12,14,18H,1-5,8,10,13H2,(H,27,31).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide?
2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 454.93 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 134369736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).