1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole

C21H17Cl2N3 — CID 155560551

IUPAC1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole
SMILESCn1cc(C(c2ccc(Cl)cc2)n2ccnc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3
InChIKeyXNHSKQRFNGHRAM-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.83
Rot. Bonds4

About 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole

1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole (PubChem CID 155560551) has the molecular formula C21H17Cl2N3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole
PubChem CID155560551
Molecular FormulaC21H17Cl2N3
Molecular Weight382.29 g/mol
Exact Mass381.08
IUPAC Name1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole
SMILESCn1cc(C(c2ccc(Cl)cc2)n2ccnc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3
InChIKeyXNHSKQRFNGHRAM-UHFFFAOYSA-N
XLogP5.83
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Midazolam
CID 4192
Midazolam Hydrochloride
CID 43032
Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 683409
5H-Imidazo(1,2-a)azepinium, 1-((2,4-dichlorophenyl)methyl)-6,7,8,9-tetrahydro-3-phenyl-, bromide
CID 11568649
BU-E 47
CID 14660352
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole (CID 155560551) is 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole is Cn1cc(C(c2ccc(Cl)cc2)n2ccnc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole?
The InChIKey is XNHSKQRFNGHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3/c1-25-13-17(12-20(25)15-2-6-18(22)7-3-15)21(26-11-10-24-14-26)16-4-8-19(23)9-5-16/h2-14,21H,1H3.
What are the key properties of 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole?
1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole has a molecular weight of 382.29 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole is sourced from PubChem (CID 155560551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).