5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one

C18H13Cl2N3O2 — CID 42600737

IUPAC5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(c3ccccc3Cl)n3ccnc3)c(Cl)cc21
InChIInChI=1S/C18H13Cl2N3O2/c1-22-15-9-14(20)12(8-16(15)25-18(22)24)17(23-7-6-21-10-23)11-4-2-3-5-13(11)19/h2-10,17H,1H3
InChIKeyZDGWQXWQQIZKST-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.27
Rot. Bonds3

About 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one

5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 42600737) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID42600737
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(c3ccccc3Cl)n3ccnc3)c(Cl)cc21
InChIInChI=1S/C18H13Cl2N3O2/c1-22-15-9-14(20)12(8-16(15)25-18(22)24)17(23-7-6-21-10-23)11-4-2-3-5-13(11)19/h2-10,17H,1H3
InChIKeyZDGWQXWQQIZKST-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

Analyze 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42597338
6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600489
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
CID 76961172
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
CID 82184528
1-[(2-chlorophenyl)-(5,6,7,8-tetrachloro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
CID 57320114
6-[bromo-(2,3-dichlorophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62298968
1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole
CID 155544140
6-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299318
5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
CID 10710339
4-chloro-3-methyl-1,3-benzoxazol-2-one
CID 13075595
6-[amino-(3-chloro-4-iodophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 103220300
1-[(2,4-dichlorophenyl)-[4-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 155561094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one (CID 42600737) is 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(c3ccccc3Cl)n3ccnc3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is ZDGWQXWQQIZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-22-15-9-14(20)12(8-16(15)25-18(22)24)17(23-7-6-21-10-23)11-4-2-3-5-13(11)19/h2-10,17H,1H3.
What are the key properties of 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one?
5-chloro-6-[(2-chlorophenyl)-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 5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 42600737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).