N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide

C25H28Cl3N3O3 — CID 10301806

IUPACN-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2nc(Cl)c(Cl)n2Cc2ccccc2)c(Cl)c1OC
InChIInChI=1S/C25H28Cl3N3O3/c1-16(2)12-13-30(25(32)18-10-11-19(33-3)22(34-4)21(18)26)15-20-29-23(27)24(28)31(20)14-17-8-6-5-7-9-17/h5-11,16H,12-15H2,1-4H3
InChIKeyWZBWNAZYUULFOB-UHFFFAOYSA-N
MW524.88 g/mol
LogP6.60
Rot. Bonds10

About N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide

N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide (PubChem CID 10301806) has the molecular formula C25H28Cl3N3O3 and a molecular weight of 524.88 g/mol. Its IUPAC name is N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
PubChem CID10301806
Molecular FormulaC25H28Cl3N3O3
Molecular Weight524.88 g/mol
Exact Mass523.12
IUPAC NameN-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2nc(Cl)c(Cl)n2Cc2ccccc2)c(Cl)c1OC
InChIInChI=1S/C25H28Cl3N3O3/c1-16(2)12-13-30(25(32)18-10-11-19(33-3)22(34-4)21(18)26)15-20-29-23(27)24(28)31(20)14-17-8-6-5-7-9-17/h5-11,16H,12-15H2,1-4H3
InChIKeyWZBWNAZYUULFOB-UHFFFAOYSA-N
XLogP6.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[4,5-dimethyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10163844
[3-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]benzimidazol-1-yl]methyl]phenyl] methanesulfonate
CID 18684969
2-[2-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-4,5-dimethylimidazol-1-yl]methyl]phenoxy]acetic acid
CID 10281081
2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 70134950
2-chloro-3,4-dimethoxy-N-(3-methylbutyl)-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18684971
N-[[1-[(5-bromo-2-hydroxyphenyl)methyl]-4,5-dimethylimidazol-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 23555795
ethyl 2-[2-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]benzimidazol-1-yl]methyl]phenoxy]acetate
CID 70135430
2-chloro-N-[[1-[[2-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70135413
2-chloro-N-[[4-[(2-cyanophenyl)methyl]-1,5-dimethylimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70249366
2-chloro-N-[(4,5-dichloro-1-methylimidazol-2-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 23555787
2-chloro-N-[[4-[(2-fluorophenyl)methyl]-1H-benzimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70114780
2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide
CID 10144233

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide (CID 10301806) is N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide is COc1ccc(C(=O)N(CCC(C)C)Cc2nc(Cl)c(Cl)n2Cc2ccccc2)c(Cl)c1OC.
What is the InChIKey of N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
The InChIKey is WZBWNAZYUULFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl3N3O3/c1-16(2)12-13-30(25(32)18-10-11-19(33-3)22(34-4)21(18)26)15-20-29-23(27)24(28)31(20)14-17-8-6-5-7-9-17/h5-11,16H,12-15H2,1-4H3.
What are the key properties of N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide?
N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 524.88 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 10301806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).