2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole

C21H16BrClN2O2 — CID 168555028

IUPAC2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccccc1Cl
InChIInChI=1S/C21H16BrClN2O2/c1-26-19-10-14(21-24-17-8-4-5-9-18(17)25-21)15(22)11-20(19)27-12-13-6-2-3-7-16(13)23/h2-11H,12H2,1H3,(H,24,25)
InChIKeyXUGNBLWTHZDNGH-UHFFFAOYSA-N
MW443.73 g/mol
LogP6.23
Rot. Bonds5

About 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole

2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole (PubChem CID 168555028) has the molecular formula C21H16BrClN2O2 and a molecular weight of 443.73 g/mol. Its IUPAC name is 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
PubChem CID168555028
Molecular FormulaC21H16BrClN2O2
Molecular Weight443.73 g/mol
Exact Mass442.01
IUPAC Name2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccccc1Cl
InChIInChI=1S/C21H16BrClN2O2/c1-26-19-10-14(21-24-17-8-4-5-9-18(17)25-21)15(22)11-20(19)27-12-13-6-2-3-7-16(13)23/h2-11H,12H2,1H3,(H,24,25)
InChIKeyXUGNBLWTHZDNGH-UHFFFAOYSA-N
XLogP6.23
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.73
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-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-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
CID 168555036
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224676
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
ethyl 2-[4-(1H-benzimidazol-2-yl)-5-bromo-2-ethoxyphenoxy]acetate
CID 168555033
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66538754
3-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
CID 3990378
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole (CID 168555028) is 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccccc1Cl.
What is the InChIKey of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole?
The InChIKey is XUGNBLWTHZDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN2O2/c1-26-19-10-14(21-24-17-8-4-5-9-18(17)25-21)15(22)11-20(19)27-12-13-6-2-3-7-16(13)23/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole?
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole has a molecular weight of 443.73 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 168555028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).