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

C18H12Cl2N2O — CID 76961172

IUPAC1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
SMILESClc1ccc2oc([C@@H](c3ccccc3Cl)n3ccnc3)cc2c1
InChIInChI=1S/C18H12Cl2N2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H/t18-/m1/s1
InChIKeyZSTBJMFRJPALNV-GOSISDBHSA-N
MW343.21 g/mol
LogP5.57
Rot. Bonds3

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

1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole (PubChem CID 76961172) has the molecular formula C18H12Cl2N2O and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
PubChem CID76961172
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.21 g/mol
Exact Mass342.03
IUPAC Name1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
SMILESClc1ccc2oc([C@@H](c3ccccc3Cl)n3ccnc3)cc2c1
InChIInChI=1S/C18H12Cl2N2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H/t18-/m1/s1
InChIKeyZSTBJMFRJPALNV-GOSISDBHSA-N
XLogP5.57
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
CID 21277774
5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600737
6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42597338
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-[(2-chlorophenyl)-(5,6,7,8-tetrachloro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
CID 57320114
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666
6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600489
1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole
CID 155544140
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223265
1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole
CID 163657718
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129244
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
The IUPAC name of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole (CID 76961172) is 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole is Clc1ccc2oc([C@@H](c3ccccc3Cl)n3ccnc3)cc2c1.
What is the InChIKey of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
The InChIKey is ZSTBJMFRJPALNV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H12Cl2N2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H/t18-/m1/s1.
What are the key properties of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole has a molecular weight of 343.21 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole is sourced from PubChem (CID 76961172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).