1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole

C20H17N3 — CID 57392267

IUPAC1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole
SMILESc1ccc([C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C20H17N3/c1-2-6-17(7-3-1)20(23-15-12-21-16-23)18-8-10-19(11-9-18)22-13-4-5-14-22/h1-16,20H/t20-/m0/s1
InChIKeyHBPCHPGVRZSBLY-FQEVSTJZSA-N
MW299.38 g/mol
LogP4.31
Rot. Bonds4

About 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole

1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole (PubChem CID 57392267) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole
PubChem CID57392267
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole
SMILESc1ccc([C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C20H17N3/c1-2-6-17(7-3-1)20(23-15-12-21-16-23)18-8-10-19(11-9-18)22-13-4-5-14-22/h1-16,20H/t20-/m0/s1
InChIKeyHBPCHPGVRZSBLY-FQEVSTJZSA-N
XLogP4.31
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole?
The IUPAC name of 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole (CID 57392267) is 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole is c1ccc([C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole?
The InChIKey is HBPCHPGVRZSBLY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17N3/c1-2-6-17(7-3-1)20(23-15-12-21-16-23)18-8-10-19(11-9-18)22-13-4-5-14-22/h1-16,20H/t20-/m0/s1.
What are the key properties of 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole?
1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole has a molecular weight of 299.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazole is sourced from PubChem (CID 57392267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).