2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole

C22H19ClN2O2 — CID 168554121

IUPAC2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1COc1ccc(Cl)cc1C
InChIInChI=1S/C22H19ClN2O2/c1-14-11-17(23)8-10-20(14)27-13-16-12-15(7-9-21(16)26-2)22-24-18-5-3-4-6-19(18)25-22/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyXLLWEOSJMOWPOW-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.78
Rot. Bonds5

About 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole

2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole (PubChem CID 168554121) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
PubChem CID168554121
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1COc1ccc(Cl)cc1C
InChIInChI=1S/C22H19ClN2O2/c1-14-11-17(23)8-10-20(14)27-13-16-12-15(7-9-21(16)26-2)22-24-18-5-3-4-6-19(18)25-22/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyXLLWEOSJMOWPOW-UHFFFAOYSA-N
XLogP5.78
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-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

2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
CID 68842824

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole (CID 168554121) is 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole is COc1ccc(-c2nc3ccccc3[nH]2)cc1COc1ccc(Cl)cc1C.
What is the InChIKey of 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
The InChIKey is XLLWEOSJMOWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-14-11-17(23)8-10-20(14)27-13-16-12-15(7-9-21(16)26-2)22-24-18-5-3-4-6-19(18)25-22/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole has a molecular weight of 378.86 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 168554121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).