1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole

C20H16ClN3 — CID 57395780

IUPAC1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
SMILESClc1ccc([C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C20H16ClN3/c21-18-7-3-16(4-8-18)20(24-14-11-22-15-24)17-5-9-19(10-6-17)23-12-1-2-13-23/h1-15,20H/t20-/m0/s1
InChIKeyXMQSYPCFQLQMOR-FQEVSTJZSA-N
MW333.82 g/mol
LogP4.96
Rot. Bonds4

About 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole

1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole (PubChem CID 57395780) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
PubChem CID57395780
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
SMILESClc1ccc([C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C20H16ClN3/c21-18-7-3-16(4-8-18)20(24-14-11-22-15-24)17-5-9-19(10-6-17)23-12-1-2-13-23/h1-15,20H/t20-/m0/s1
InChIKeyXMQSYPCFQLQMOR-FQEVSTJZSA-N
XLogP4.96
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
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1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-(2-phenylpropan-2-yl)-1H-imidazol-4-yl)-1H-pyrazole
CID 11755189
7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
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6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
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2-(4-Chlorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 3703860
1-(4-chlorobenzyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 16682378

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole (CID 57395780) is 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole is Clc1ccc([C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole?
The InChIKey is XMQSYPCFQLQMOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16ClN3/c21-18-7-3-16(4-8-18)20(24-14-11-22-15-24)17-5-9-19(10-6-17)23-12-1-2-13-23/h1-15,20H/t20-/m0/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole?
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole has a molecular weight of 333.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole is sourced from PubChem (CID 57395780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).