N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide

C19H19Cl2N3O2 — CID 59018410

IUPACN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C
InChIInChI=1S/C19H19Cl2N3O2/c1-11-3-4-13(7-12(11)2)26-10-19(25)22-6-5-18-23-16-8-14(20)15(21)9-17(16)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyWFMLLDTUZJRMGZ-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.22
Rot. Bonds6

About N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 59018410) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID59018410
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C
InChIInChI=1S/C19H19Cl2N3O2/c1-11-3-4-13(7-12(11)2)26-10-19(25)22-6-5-18-23-16-8-14(20)15(21)9-17(16)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyWFMLLDTUZJRMGZ-UHFFFAOYSA-N
XLogP4.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 59018394
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 59018354
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 118786104
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 59264890
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-methylaniline
CID 82005404

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide (CID 59018410) is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C.
What is the InChIKey of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is WFMLLDTUZJRMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11-3-4-13(7-12(11)2)26-10-19(25)22-6-5-18-23-16-8-14(20)15(21)9-17(16)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 59018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).