2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole

C22H18Cl2N2O2 — CID 19224191

IUPAC2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
SMILESCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c1-2-27-21-11-14(22-25-18-5-3-4-6-19(18)26-22)8-10-20(21)28-13-15-7-9-16(23)12-17(15)24/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyJKRBRVPGLTVNKE-UHFFFAOYSA-N
MW413.30 g/mol
LogP6.51
Rot. Bonds6

About 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole

2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole (PubChem CID 19224191) 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-ethoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
PubChem CID19224191
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
SMILESCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c1-2-27-21-11-14(22-25-18-5-3-4-6-19(18)26-22)8-10-20(21)28-13-15-7-9-16(23)12-17(15)24/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyJKRBRVPGLTVNKE-UHFFFAOYSA-N
XLogP6.51
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 66526653
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
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-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 66526965
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ethanamine
CID 66537551
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
CID 168555036
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole (CID 19224191) is 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole is CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole?
The InChIKey is JKRBRVPGLTVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-2-27-21-11-14(22-25-18-5-3-4-6-19(18)26-22)8-10-20(21)28-13-15-7-9-16(23)12-17(15)24/h3-12H,2,13H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole?
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole has a molecular weight of 413.30 g/mol, XLogP of 6.51, 6 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-ethoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 19224191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).