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

C26H24FN3O2 — CID 71132677

IUPAC2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4cccc(F)c4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C26H24FN3O2/c1-31-23-8-5-18(6-9-23)16-32-17-22-7-10-24-29-25(20-3-2-4-21(27)15-20)26(30(22)24)19-11-13-28-14-12-19/h2-6,8-9,11-15,22H,7,10,16-17H2,1H3
InChIKeyKVKIHGAQIDRYKF-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.46
Rot. Bonds7

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

2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71132677) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID71132677
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4cccc(F)c4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C26H24FN3O2/c1-31-23-8-5-18(6-9-23)16-32-17-22-7-10-24-29-25(20-3-2-4-21(27)15-20)26(30(22)24)19-11-13-28-14-12-19/h2-6,8-9,11-15,22H,7,10,16-17H2,1H3
InChIKeyKVKIHGAQIDRYKF-UHFFFAOYSA-N
XLogP5.46
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 71132677) is 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COCC2CCc3nc(-c4cccc(F)c4)c(-c4ccncc4)n32)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is KVKIHGAQIDRYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-31-23-8-5-18(6-9-23)16-32-17-22-7-10-24-29-25(20-3-2-4-21(27)15-20)26(30(22)24)19-11-13-28-14-12-19/h2-6,8-9,11-15,22H,7,10,16-17H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 429.50 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71132677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).