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

C25H20ClF2N3O — CID 71137547

IUPAC5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)C(COCc2c(F)cccc2Cl)CC3)cc1
InChIInChI=1S/C25H20ClF2N3O/c26-21-2-1-3-22(28)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(27)7-5-16)25(31(19)23)17-10-12-29-13-11-17/h1-7,10-13,19H,8-9,14-15H2
InChIKeyZIHRNBBEQZOCAZ-UHFFFAOYSA-N
MW451.90 g/mol
LogP6.25
Rot. Bonds6

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

5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71137547) has the molecular formula C25H20ClF2N3O and a molecular weight of 451.90 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID71137547
Molecular FormulaC25H20ClF2N3O
Molecular Weight451.90 g/mol
Exact Mass451.13
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)C(COCc2c(F)cccc2Cl)CC3)cc1
InChIInChI=1S/C25H20ClF2N3O/c26-21-2-1-3-22(28)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(27)7-5-16)25(31(19)23)17-10-12-29-13-11-17/h1-7,10-13,19H,8-9,14-15H2
InChIKeyZIHRNBBEQZOCAZ-UHFFFAOYSA-N
XLogP6.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.90
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132089
(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-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132719
(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10158658
2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
CID 10137908
(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
2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132677
N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine
CID 71132544
(5S)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10140584
N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine
CID 71132720
N-benzyl-N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]ethanamine
CID 10180858

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 71137547) is 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Fc1ccc(-c2nc3n(c2-c2ccncc2)C(COCc2c(F)cccc2Cl)CC3)cc1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is ZIHRNBBEQZOCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O/c26-21-2-1-3-22(28)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(27)7-5-16)25(31(19)23)17-10-12-29-13-11-17/h1-7,10-13,19H,8-9,14-15H2.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 451.90 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71137547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).