N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide

C26H27N3O3 — CID 17006993

IUPACN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCOc1ccccc1OCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H27N3O3/c1-18-12-13-20(19(2)16-18)26(30)27-17-25-28-21-8-4-5-9-22(21)29(25)14-15-32-24-11-7-6-10-23(24)31-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)
InChIKeyOUXHTIKUGJEAIZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.67
Rot. Bonds8

About N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide

N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide (PubChem CID 17006993) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
PubChem CID17006993
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCOc1ccccc1OCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H27N3O3/c1-18-12-13-20(19(2)16-18)26(30)27-17-25-28-21-8-4-5-9-22(21)29(25)14-15-32-24-11-7-6-10-23(24)31-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)
InChIKeyOUXHTIKUGJEAIZ-UHFFFAOYSA-N
XLogP4.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007021
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007057
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976400
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
4-bromo-N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009198
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007460
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007329
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556
2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982559

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide (CID 17006993) is N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide is COc1ccccc1OCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
The InChIKey is OUXHTIKUGJEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-12-13-20(19(2)16-18)26(30)27-17-25-28-21-8-4-5-9-22(21)29(25)14-15-32-24-11-7-6-10-23(24)31-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,30).
What are the key properties of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 17006993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).