4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole

C21H19N3O2 — CID 135968526

IUPAC4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cc[nH]c3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-25-17-7-3-14(4-8-17)19-20(15-5-9-18(26-2)10-6-15)24-21(23-19)16-11-12-22-13-16/h3-13,22H,1-2H3,(H,23,24)
InChIKeyKSHFRFOGOBVDTI-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.76
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole

4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole (PubChem CID 135968526) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
PubChem CID135968526
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cc[nH]c3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-25-17-7-3-14(4-8-17)19-20(15-5-9-18(26-2)10-6-15)24-21(23-19)16-11-12-22-13-16/h3-13,22H,1-2H3,(H,23,24)
InChIKeyKSHFRFOGOBVDTI-UHFFFAOYSA-N
XLogP4.76
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
CID 40532851
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
methyl 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1H-pyrrole-3-carboxylate
CID 13121104
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole (CID 135968526) is 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole is COc1ccc(-c2nc(-c3cc[nH]c3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole?
The InChIKey is KSHFRFOGOBVDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-25-17-7-3-14(4-8-17)19-20(15-5-9-18(26-2)10-6-15)24-21(23-19)16-11-12-22-13-16/h3-13,22H,1-2H3,(H,23,24).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole has a molecular weight of 345.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole is sourced from PubChem (CID 135968526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).