N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide

C26H26ClN3O2 — CID 17007021

IUPACN-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3n2CCCOc2ccccc2Cl)c(C)c1
InChIInChI=1S/C26H26ClN3O2/c1-18-12-13-20(19(2)16-18)26(31)28-17-25-29-22-9-4-5-10-23(22)30(25)14-7-15-32-24-11-6-3-8-21(24)27/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,28,31)
InChIKeyGFZARGKXIXDJQI-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.71
Rot. Bonds8

About N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide

N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide (PubChem CID 17007021) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
PubChem CID17007021
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC NameN-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3n2CCCOc2ccccc2Cl)c(C)c1
InChIInChI=1S/C26H26ClN3O2/c1-18-12-13-20(19(2)16-18)26(31)28-17-25-29-22-9-4-5-10-23(22)30(25)14-7-15-32-24-11-6-3-8-21(24)27/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,28,31)
InChIKeyGFZARGKXIXDJQI-UHFFFAOYSA-N
XLogP5.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
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
2-chloro-N-[[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007460
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007057
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide (CID 17007021) is N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2nc3ccccc3n2CCCOc2ccccc2Cl)c(C)c1.
What is the InChIKey of N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
The InChIKey is GFZARGKXIXDJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-18-12-13-20(19(2)16-18)26(31)28-17-25-29-22-9-4-5-10-23(22)30(25)14-7-15-32-24-11-6-3-8-21(24)27/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,28,31).
What are the key properties of N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide?
N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide has a molecular weight of 447.97 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 17007021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).