2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole

C26H27ClN2O2 — CID 16997336

IUPAC2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(C(C)C)c(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C26H27ClN2O2/c1-18(2)20-13-12-19(3)16-25(20)30-15-14-29-23-10-6-5-9-22(23)28-26(29)17-31-24-11-7-4-8-21(24)27/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeySHCPBPMZKVGYAW-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.78
Rot. Bonds8

About 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole

2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 16997336) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID16997336
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(C(C)C)c(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C26H27ClN2O2/c1-18(2)20-13-12-19(3)16-25(20)30-15-14-29-23-10-6-5-9-22(23)28-26(29)17-31-24-11-7-4-8-21(24)27/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeySHCPBPMZKVGYAW-UHFFFAOYSA-N
XLogP6.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996886
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118
1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 3347731
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879369
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole (CID 16997336) is 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole is Cc1ccc(C(C)C)c(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is SHCPBPMZKVGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-18(2)20-13-12-19(3)16-25(20)30-15-14-29-23-10-6-5-9-22(23)28-26(29)17-31-24-11-7-4-8-21(24)27/h4-13,16,18H,14-15,17H2,1-3H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole?
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 434.97 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16997336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).