5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C25H20Cl2FN3O — CID 71132719

IUPAC5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)C(COCc2ccc(Cl)c(Cl)c2)CC3)cc1
InChIInChI=1S/C25H20Cl2FN3O/c26-21-7-1-16(13-22(21)27)14-32-15-20-6-8-23-30-24(17-2-4-19(28)5-3-17)25(31(20)23)18-9-11-29-12-10-18/h1-5,7,9-13,20H,6,8,14-15H2
InChIKeyQIFQPUOFXYURME-UHFFFAOYSA-N
MW468.36 g/mol
LogP6.76
Rot. Bonds6

About 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71132719) has the molecular formula C25H20Cl2FN3O and a molecular weight of 468.36 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID71132719
Molecular FormulaC25H20Cl2FN3O
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC Name5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)C(COCc2ccc(Cl)c(Cl)c2)CC3)cc1
InChIInChI=1S/C25H20Cl2FN3O/c26-21-7-1-16(13-22(21)27)14-32-15-20-6-8-23-30-24(17-2-4-19(28)5-3-17)25(31(20)23)18-9-11-29-12-10-18/h1-5,7,9-13,20H,6,8,14-15H2
InChIKeyQIFQPUOFXYURME-UHFFFAOYSA-N
XLogP6.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.36
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10226967
5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71137547
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132089
(5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641082
2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132660
(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10158658
(5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641117
2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132677
(5S)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10140584
2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132679
(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfinyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641053
2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
CID 10137908

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 71132719) is 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Fc1ccc(-c2nc3n(c2-c2ccncc2)C(COCc2ccc(Cl)c(Cl)c2)CC3)cc1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is QIFQPUOFXYURME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN3O/c26-21-7-1-16(13-22(21)27)14-32-15-20-6-8-23-30-24(17-2-4-19(28)5-3-17)25(31(20)23)18-9-11-29-12-10-18/h1-5,7,9-13,20H,6,8,14-15H2.
What are the key properties of 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 468.36 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71132719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).