2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide

C25H27Cl4N3O3 — CID 10120342

IUPAC2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2nc(Cl)c(Cl)n2Cc2ccccc2Cl)c(Cl)c1OC
InChIInChI=1S/C25H27Cl4N3O3/c1-15(2)11-12-31(25(33)17-9-10-19(34-3)22(35-4)21(17)27)14-20-30-23(28)24(29)32(20)13-16-7-5-6-8-18(16)26/h5-10,15H,11-14H2,1-4H3
InChIKeyKQNYXBTWDZKLPZ-UHFFFAOYSA-N
MW559.32 g/mol
LogP7.25
Rot. Bonds10

About 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide

2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide (PubChem CID 10120342) has the molecular formula C25H27Cl4N3O3 and a molecular weight of 559.32 g/mol. Its IUPAC name is 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
PubChem CID10120342
Molecular FormulaC25H27Cl4N3O3
Molecular Weight559.32 g/mol
Exact Mass557.08
IUPAC Name2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2nc(Cl)c(Cl)n2Cc2ccccc2Cl)c(Cl)c1OC
InChIInChI=1S/C25H27Cl4N3O3/c1-15(2)11-12-31(25(33)17-9-10-19(34-3)22(35-4)21(17)27)14-20-30-23(28)24(29)32(20)13-16-7-5-6-8-18(16)26/h5-10,15H,11-14H2,1-4H3
InChIKeyKQNYXBTWDZKLPZ-UHFFFAOYSA-N
XLogP7.25
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.32
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide (CID 10120342) is 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide is COc1ccc(C(=O)N(CCC(C)C)Cc2nc(Cl)c(Cl)n2Cc2ccccc2Cl)c(Cl)c1OC.
What is the InChIKey of 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
The InChIKey is KQNYXBTWDZKLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl4N3O3/c1-15(2)11-12-31(25(33)17-9-10-19(34-3)22(35-4)21(17)27)14-20-30-23(28)24(29)32(20)13-16-7-5-6-8-18(16)26/h5-10,15H,11-14H2,1-4H3.
What are the key properties of 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 559.32 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4,5-dichloro-1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 10120342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).