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

C25H20Cl2FN3O — CID 10226967

IUPAC(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2Cl)CC3)cc1
InChIInChI=1S/C25H20Cl2FN3O/c26-19-4-1-18(22(27)13-19)14-32-15-21-7-8-23-30-24(16-2-5-20(28)6-3-16)25(31(21)23)17-9-11-29-12-10-17/h1-6,9-13,21H,7-8,14-15H2/t21-/m0/s1
InChIKeyRHOWRZLONXNTQR-NRFANRHFSA-N
MW468.36 g/mol
LogP6.76
Rot. Bonds6

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

(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 10226967) has the molecular formula C25H20Cl2FN3O and a molecular weight of 468.36 g/mol. Its IUPAC name is (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID10226967
Molecular FormulaC25H20Cl2FN3O
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC Name(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2Cl)CC3)cc1
InChIInChI=1S/C25H20Cl2FN3O/c26-19-4-1-18(22(27)13-19)14-32-15-21-7-8-23-30-24(16-2-5-20(28)6-3-16)25(31(21)23)17-9-11-29-12-10-17/h1-6,9-13,21H,7-8,14-15H2/t21-/m0/s1
InChIKeyRHOWRZLONXNTQR-NRFANRHFSA-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

2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132089
5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132719
5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71137547
(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-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132660
(5S)-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641082
2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
CID 10137908
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
2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132679

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 10226967) is (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2Cl)CC3)cc1.
What is the InChIKey of (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is RHOWRZLONXNTQR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H20Cl2FN3O/c26-19-4-1-18(22(27)13-19)14-32-15-21-7-8-23-30-24(16-2-5-20(28)6-3-16)25(31(21)23)17-9-11-29-12-10-17/h1-6,9-13,21H,7-8,14-15H2/t21-/m0/s1.
What are the key properties of (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(5S)-5-[(2,4-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 (5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 10226967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).