2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole

C20H22N2O — CID 18878595

IUPAC2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(C)c1OCCn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C20H22N2O/c1-14-6-5-7-15(2)19(14)23-13-12-22-18-9-4-3-8-17(18)21-20(22)16-10-11-16/h3-9,16H,10-13H2,1-2H3
InChIKeyLZSYUBOLGSAUBC-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.61
Rot. Bonds5

About 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole

2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole (PubChem CID 18878595) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
PubChem CID18878595
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(C)c1OCCn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C20H22N2O/c1-14-6-5-7-15(2)19(14)23-13-12-22-18-9-4-3-8-17(18)21-20(22)16-10-11-16/h3-9,16H,10-13H2,1-2H3
InChIKeyLZSYUBOLGSAUBC-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-(2-chlorophenyl)-4-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813469
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole-2-carbaldehyde
CID 17010575
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 17002662
(4S)-4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40813705
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17004050
4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18889370
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
1-[(2S)-2-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 42108786
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole (CID 18878595) is 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole is Cc1cccc(C)c1OCCn1c(C2CC2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole?
The InChIKey is LZSYUBOLGSAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-6-5-7-15(2)19(14)23-13-12-22-18-9-4-3-8-17(18)21-20(22)16-10-11-16/h3-9,16H,10-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole?
2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 18878595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).