3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

C26H26ClN3O2 — CID 16977948

IUPAC3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C)c1OCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C26H26ClN3O2/c1-18-7-5-8-19(2)25(18)32-16-15-30-23-12-4-3-11-22(23)29-24(30)13-14-28-26(31)20-9-6-10-21(27)17-20/h3-12,17H,13-16H2,1-2H3,(H,28,31)
InChIKeyLHAOGPKVDWOMSC-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.36
Rot. Bonds8

About 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977948) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977948
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C)c1OCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C26H26ClN3O2/c1-18-7-5-8-19(2)25(18)32-16-15-30-23-12-4-3-11-22(23)29-24(30)13-14-28-26(31)20-9-6-10-21(27)17-20/h3-12,17H,13-16H2,1-2H3,(H,28,31)
InChIKeyLHAOGPKVDWOMSC-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983513
3-chloro-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990456
3-chloro-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977960
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
3-chloro-N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983510
3-chloro-N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977974
3-chloro-N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990505
4-chloro-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991453
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980416
N-[2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976774
3-bromo-N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977948) is 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(C)c1OCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is LHAOGPKVDWOMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-18-7-5-8-19(2)25(18)32-16-15-30-23-12-4-3-11-22(23)29-24(30)13-14-28-26(31)20-9-6-10-21(27)17-20/h3-12,17H,13-16H2,1-2H3,(H,28,31).
What are the key properties of 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).