6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one

C18H13Cl2N3O2 — CID 42600489

IUPAC6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(c3ccc(Cl)cc3Cl)n3ccnc3)ccc21
InChIInChI=1S/C18H13Cl2N3O2/c1-22-15-5-2-11(8-16(15)25-18(22)24)17(23-7-6-21-10-23)13-4-3-12(19)9-14(13)20/h2-10,17H,1H3
InChIKeyPESPGQTVCMLDCG-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.27
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one

6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 42600489) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID42600489
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(c3ccc(Cl)cc3Cl)n3ccnc3)ccc21
InChIInChI=1S/C18H13Cl2N3O2/c1-22-15-5-2-11(8-16(15)25-18(22)24)17(23-7-6-21-10-23)13-4-3-12(19)9-14(13)20/h2-10,17H,1H3
InChIKeyPESPGQTVCMLDCG-UHFFFAOYSA-N
XLogP4.27
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600737
6-[(2,4-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600742
6-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299318
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-[amino-(3-chloro-4-iodophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 103220300
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
CID 76961172
1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole
CID 163657718
ethyl 4-[3-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]pyrrol-1-yl]-1H-pyrrole-3-carboxylate
CID 10048259

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one (CID 42600489) is 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(c3ccc(Cl)cc3Cl)n3ccnc3)ccc21.
What is the InChIKey of 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is PESPGQTVCMLDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-22-15-5-2-11(8-16(15)25-18(22)24)17(23-7-6-21-10-23)13-4-3-12(19)9-14(13)20/h2-10,17H,1H3.
What are the key properties of 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 374.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 42600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).