2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole

C18H13ClN2O — CID 90751232

IUPAC2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole
SMILESClc1ccc(-c2cc3ccccc3o2)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C18H13ClN2O/c19-14-5-6-15(13(9-14)11-18-20-7-8-21-18)17-10-12-3-1-2-4-16(12)22-17/h1-10H,11H2,(H,20,21)
InChIKeyULDVWGVUZWYNBS-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.07
Rot. Bonds3

About 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole

2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole (PubChem CID 90751232) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole
PubChem CID90751232
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole
SMILESClc1ccc(-c2cc3ccccc3o2)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C18H13ClN2O/c19-14-5-6-15(13(9-14)11-18-20-7-8-21-18)17-10-12-3-1-2-4-16(12)22-17/h1-10H,11H2,(H,20,21)
InChIKeyULDVWGVUZWYNBS-UHFFFAOYSA-N
XLogP5.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
CID 91127273
2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
CID 54374256
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
2-[[2-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]-1H-imidazole
CID 70637613
2-[(5-methoxy-2-phenylphenyl)methyl]-1H-imidazole
CID 91469919
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
2-(3-chloro-5-phenylphenyl)-1-benzofuran
CID 144661171
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole (CID 90751232) is 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole is Clc1ccc(-c2cc3ccccc3o2)c(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole?
The InChIKey is ULDVWGVUZWYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-14-5-6-15(13(9-14)11-18-20-7-8-21-18)17-10-12-3-1-2-4-16(12)22-17/h1-10H,11H2,(H,20,21).
What are the key properties of 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole?
2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole has a molecular weight of 308.77 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole is sourced from PubChem (CID 90751232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).