N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C24H31N3O2 — CID 16975018

IUPACN-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(OCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1C
InChIInChI=1S/C24H31N3O2/c1-17-10-11-19(16-18(17)2)29-15-14-27-21-9-7-6-8-20(21)26-22(27)12-13-25-23(28)24(3,4)5/h6-11,16H,12-15H2,1-5H3,(H,25,28)
InChIKeyWHCVWSWGIADZRY-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.44
Rot. Bonds7

About N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16975018) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID16975018
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(OCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1C
InChIInChI=1S/C24H31N3O2/c1-17-10-11-19(16-18(17)2)29-15-14-27-21-9-7-6-8-20(21)26-22(27)12-13-25-23(28)24(3,4)5/h6-11,16H,12-15H2,1-5H3,(H,25,28)
InChIKeyWHCVWSWGIADZRY-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16974992
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976607
(E)-N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980141
N-[5-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988847
N-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975009
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964332
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
(E)-N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16978406
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981501
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975960

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16975018) is N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is Cc1ccc(OCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1C.
What is the InChIKey of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is WHCVWSWGIADZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-10-11-19(16-18(17)2)29-15-14-27-21-9-7-6-8-20(21)26-22(27)12-13-25-23(28)24(3,4)5/h6-11,16H,12-15H2,1-5H3,(H,25,28).
What are the key properties of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16975018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).