2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide

C24H31N3O2 — CID 4754850

IUPAC2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCc1ccc(OCCn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C24H31N3O2/c1-18-11-13-19(14-12-18)29-17-16-27-21-9-6-5-8-20(21)26-22(27)10-7-15-25-23(28)24(2,3)4/h5-6,8-9,11-14H,7,10,15-17H2,1-4H3,(H,25,28)
InChIKeyJBZMYEGAPZSVRB-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.52
Rot. Bonds8

About 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide

2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 4754850) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
PubChem CID4754850
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCc1ccc(OCCn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C24H31N3O2/c1-18-11-13-19(14-12-18)29-17-16-27-21-9-6-5-8-20(21)26-22(27)10-7-15-25-23(28)24(2,3)4/h5-6,8-9,11-14H,7,10,15-17H2,1-4H3,(H,25,28)
InChIKeyJBZMYEGAPZSVRB-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.52
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-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981444
N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966240
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975018
N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981490
N-[5-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988847
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981501
N-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975009
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988882

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide (CID 4754850) is 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide is Cc1ccc(OCCn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The InChIKey is JBZMYEGAPZSVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-11-13-19(14-12-18)29-17-16-27-21-9-6-5-8-20(21)26-22(27)10-7-15-25-23(28)24(2,3)4/h5-6,8-9,11-14H,7,10,15-17H2,1-4H3,(H,25,28).
What are the key properties of 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 4754850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).