2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide

C15H16Cl3N3O3 — CID 23555787

IUPAC2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nc(Cl)c(Cl)n2C)c(Cl)c1OC
InChIInChI=1S/C15H16Cl3N3O3/c1-20(7-10-19-13(17)14(18)21(10)2)15(22)8-5-6-9(23-3)12(24-4)11(8)16/h5-6H,7H2,1-4H3
InChIKeyBEBORUWBELANSR-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.67
Rot. Bonds5

About 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide

2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide (PubChem CID 23555787) has the molecular formula C15H16Cl3N3O3 and a molecular weight of 392.67 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
PubChem CID23555787
Molecular FormulaC15H16Cl3N3O3
Molecular Weight392.67 g/mol
Exact Mass391.03
IUPAC Name2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nc(Cl)c(Cl)n2C)c(Cl)c1OC
InChIInChI=1S/C15H16Cl3N3O3/c1-20(7-10-19-13(17)14(18)21(10)2)15(22)8-5-6-9(23-3)12(24-4)11(8)16/h5-6H,7H2,1-4H3
InChIKeyBEBORUWBELANSR-UHFFFAOYSA-N
XLogP3.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10301806
2-chloro-3,4-dimethoxy-N-(3-methylbutyl)-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18684971
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 19456475
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
2-chloro-N-[[4,5-dimethyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10163844
2-chloro-N-[[4-[(2-cyanophenyl)methyl]-1,5-dimethylimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70249366
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
N-[(5-bromothiophen-3-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60580019
methyl 4-(2-chloro-3,4-dimethoxyphenyl)-4-oxobutanoate
CID 63631326
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide (CID 23555787) is 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2nc(Cl)c(Cl)n2C)c(Cl)c1OC.
What is the InChIKey of 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is BEBORUWBELANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N3O3/c1-20(7-10-19-13(17)14(18)21(10)2)15(22)8-5-6-9(23-3)12(24-4)11(8)16/h5-6H,7H2,1-4H3.
What are the key properties of 2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 392.67 g/mol, XLogP of 3.67, 5 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-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 23555787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).