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

C21H16Cl2N2O2 — CID 168554744

IUPAC2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C21H16Cl2N2O2/c1-26-19-11-4-6-13(21-24-17-9-2-3-10-18(17)25-21)20(19)27-12-14-15(22)7-5-8-16(14)23/h2-11H,12H2,1H3,(H,24,25)
InChIKeyONNSPIGMOAWBIH-UHFFFAOYSA-N
MW399.28 g/mol
LogP6.12
Rot. Bonds5

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

2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole (PubChem CID 168554744) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
PubChem CID168554744
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C21H16Cl2N2O2/c1-26-19-11-4-6-13(21-24-17-9-2-3-10-18(17)25-21)20(19)27-12-14-15(22)7-5-8-16(14)23/h2-11H,12H2,1H3,(H,24,25)
InChIKeyONNSPIGMOAWBIH-UHFFFAOYSA-N
XLogP6.12
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
CID 168554553
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
CID 168555028
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
N-(1H-benzimidazol-2-ylmethyl)-1-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66526612
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole
CID 168555303

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole (CID 168554744) is 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole is COc1cccc(-c2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole?
The InChIKey is ONNSPIGMOAWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-26-19-11-4-6-13(21-24-17-9-2-3-10-18(17)25-21)20(19)27-12-14-15(22)7-5-8-16(14)23/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole?
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole has a molecular weight of 399.28 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 168554744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).