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

C27H27N3O3 — CID 71132660

IUPAC2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4ccc(OC)cc4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C27H27N3O3/c1-31-23-8-3-19(4-9-23)17-33-18-22-7-12-25-29-26(20-5-10-24(32-2)11-6-20)27(30(22)25)21-13-15-28-16-14-21/h3-6,8-11,13-16,22H,7,12,17-18H2,1-2H3
InChIKeyCEGXJEDQWIULBZ-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.33
Rot. Bonds8

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

2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71132660) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID71132660
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4ccc(OC)cc4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C27H27N3O3/c1-31-23-8-3-19(4-9-23)17-33-18-22-7-12-25-29-26(20-5-10-24(32-2)11-6-20)27(30(22)25)21-13-15-28-16-14-21/h3-6,8-11,13-16,22H,7,12,17-18H2,1-2H3
InChIKeyCEGXJEDQWIULBZ-UHFFFAOYSA-N
XLogP5.33
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 71132660) is 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COCC2CCc3nc(-c4ccc(OC)cc4)c(-c4ccncc4)n32)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is CEGXJEDQWIULBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-31-23-8-3-19(4-9-23)17-33-18-22-7-12-25-29-26(20-5-10-24(32-2)11-6-20)27(30(22)25)21-13-15-28-16-14-21/h3-6,8-11,13-16,22H,7,12,17-18H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 441.53 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71132660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).