1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole

C19H22N2O — CID 16995013

IUPAC1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
SMILESCc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(C)c1
InChIInChI=1S/C19H22N2O/c1-13-5-6-19(16(4)9-13)22-8-7-21-12-20-17-10-14(2)15(3)11-18(17)21/h5-6,9-12H,7-8H2,1-4H3
InChIKeyWKYRPEBZYPAZKJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole

1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole (PubChem CID 16995013) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
PubChem CID16995013
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
SMILESCc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(C)c1
InChIInChI=1S/C19H22N2O/c1-13-5-6-19(16(4)9-13)22-8-7-21-12-20-17-10-14(2)15(3)11-18(17)21/h5-6,9-12H,7-8H2,1-4H3
InChIKeyWKYRPEBZYPAZKJ-UHFFFAOYSA-N
XLogP4.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole 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

1-[4-(2,4-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995055
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 962401
1-[4-(2,5-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995057
1-[2-(2-butoxyphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 2231812
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride
CID 18593123
1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole;oxalic acid
CID 2949443
1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 2977634
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
CID 2232290
3-[2-(5,6-dimethylbenzimidazol-1-yl)ethoxy]benzonitrile
CID 112824317
3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 861961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole (CID 16995013) is 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole is Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole?
The InChIKey is WKYRPEBZYPAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-5-6-19(16(4)9-13)22-8-7-21-12-20-17-10-14(2)15(3)11-18(17)21/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole?
1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole has a molecular weight of 294.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 16995013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).