1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine

C27H27FN4O — CID 71132535

IUPAC1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C27H27FN4O/c1-31(17-19-3-10-24(33-2)11-4-19)18-23-9-12-25-30-26(20-5-7-22(28)8-6-20)27(32(23)25)21-13-15-29-16-14-21/h3-8,10-11,13-16,23H,9,12,17-18H2,1-2H3
InChIKeyQJWKEVMLYVGFDF-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.38
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine

1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine (PubChem CID 71132535) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine
PubChem CID71132535
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C27H27FN4O/c1-31(17-19-3-10-24(33-2)11-4-19)18-23-9-12-25-30-26(20-5-7-22(28)8-6-20)27(32(23)25)21-13-15-29-16-14-21/h3-8,10-11,13-16,23H,9,12,17-18H2,1-2H3
InChIKeyQJWKEVMLYVGFDF-UHFFFAOYSA-N
XLogP5.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine (CID 71132535) is 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine is COc1ccc(CN(C)CC2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine?
The InChIKey is QJWKEVMLYVGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c1-31(17-19-3-10-24(33-2)11-4-19)18-23-9-12-25-30-26(20-5-7-22(28)8-6-20)27(32(23)25)21-13-15-29-16-14-21/h3-8,10-11,13-16,23H,9,12,17-18H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine?
1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine has a molecular weight of 442.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 71132535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).