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

C26H24ClN3O2 — CID 59641117

IUPAC(5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COC[C@@H]2CCc3nc(-c4ccc(Cl)cc4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C26H24ClN3O2/c1-31-23-9-2-18(3-10-23)16-32-17-22-8-11-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-12-14-28-15-13-20/h2-7,9-10,12-15,22H,8,11,16-17H2,1H3/t22-/m0/s1
InChIKeyUUZNMOCCNREURQ-QFIPXVFZSA-N
MW445.95 g/mol
LogP5.98
Rot. Bonds7

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

(5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 59641117) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID59641117
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name(5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COC[C@@H]2CCc3nc(-c4ccc(Cl)cc4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C26H24ClN3O2/c1-31-23-9-2-18(3-10-23)16-32-17-22-8-11-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-12-14-28-15-13-20/h2-7,9-10,12-15,22H,8,11,16-17H2,1H3/t22-/m0/s1
InChIKeyUUZNMOCCNREURQ-QFIPXVFZSA-N
XLogP5.98
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 59641117) is (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COC[C@@H]2CCc3nc(-c4ccc(Cl)cc4)c(-c4ccncc4)n32)cc1.
What is the InChIKey of (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is UUZNMOCCNREURQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-31-23-9-2-18(3-10-23)16-32-17-22-8-11-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-12-14-28-15-13-20/h2-7,9-10,12-15,22H,8,11,16-17H2,1H3/t22-/m0/s1.
What are the key properties of (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 445.95 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 59641117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).