1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole

C18H13ClN2O — CID 21277774

IUPAC1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
SMILESClc1ccc2oc(C(c3ccccc3)n3ccnc3)cc2c1
InChIInChI=1S/C18H13ClN2O/c19-15-6-7-16-14(10-15)11-17(22-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h1-12,18H
InChIKeyXNLQAWKCIRZDDY-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.92
Rot. Bonds3

About 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole

1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole (PubChem CID 21277774) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole.

Molecular Properties

Compound Name1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
PubChem CID21277774
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
SMILESClc1ccc2oc(C(c3ccccc3)n3ccnc3)cc2c1
InChIInChI=1S/C18H13ClN2O/c19-15-6-7-16-14(10-15)11-17(22-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h1-12,18H
InChIKeyXNLQAWKCIRZDDY-UHFFFAOYSA-N
XLogP4.92
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
CID 76961172
1-benzhydrylimidazole;hydrobromide
CID 174865219
4-[1-benzofuran-2-yl(phenyl)methyl]-1,2,4-triazole
CID 57079600
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
CID 3012923
[2-(2,4-dichlorophenyl)sulfanyl-1-imidazol-1-yl-2-phenylethyl] thiocyanate
CID 88820225
5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
CID 174253114
[imidazol-1-yl(phenyl)methyl]hydrazine
CID 102225378
1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole?
The IUPAC name of 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole (CID 21277774) is 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole.
What is the SMILES notation for 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole?
The canonical SMILES for 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole is Clc1ccc2oc(C(c3ccccc3)n3ccnc3)cc2c1.
What is the InChIKey of 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole?
The InChIKey is XNLQAWKCIRZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-15-6-7-16-14(10-15)11-17(22-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h1-12,18H.
What are the key properties of 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole?
1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole has a molecular weight of 308.77 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole is sourced from PubChem (CID 21277774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).