2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole

C22H18Cl2N2O2 — CID 19224643

IUPAC2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c1-13-3-7-18-19(9-13)26-22(25-18)14-5-8-20(21(10-14)27-2)28-12-15-4-6-16(23)11-17(15)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyIGHCHHOCMBDIFR-UHFFFAOYSA-N
MW413.30 g/mol
LogP6.43
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole

2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole (PubChem CID 19224643) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
PubChem CID19224643
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c1-13-3-7-18-19(9-13)26-22(25-18)14-5-8-20(21(10-14)27-2)28-12-15-4-6-16(23)11-17(15)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyIGHCHHOCMBDIFR-UHFFFAOYSA-N
XLogP6.43
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224676
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
CID 91902866
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole (CID 19224643) is 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole is COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole?
The InChIKey is IGHCHHOCMBDIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-13-3-7-18-19(9-13)26-22(25-18)14-5-8-20(21(10-14)27-2)28-12-15-4-6-16(23)11-17(15)24/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole?
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole has a molecular weight of 413.30 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 19224643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).