2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole

C23H29ClN2O — CID 16997296

IUPAC2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C23H29ClN2O/c1-2-3-4-5-6-7-12-17-26-21-15-10-9-14-20(21)25-23(26)18-27-22-16-11-8-13-19(22)24/h8-11,13-16H,2-7,12,17-18H2,1H3
InChIKeyRDUSOZXSTZWQMW-UHFFFAOYSA-N
MW384.95 g/mol
LogP7.02
Rot. Bonds11

About 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole

2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole (PubChem CID 16997296) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
PubChem CID16997296
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C23H29ClN2O/c1-2-3-4-5-6-7-12-17-26-21-15-10-9-14-20(21)25-23(26)18-27-22-16-11-8-13-19(22)24/h8-11,13-16H,2-7,12,17-18H2,1H3
InChIKeyRDUSOZXSTZWQMW-UHFFFAOYSA-N
XLogP7.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
CID 17031853
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole (CID 16997296) is 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole is CCCCCCCCCn1c(COc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole?
The InChIKey is RDUSOZXSTZWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-2-3-4-5-6-7-12-17-26-21-15-10-9-14-20(21)25-23(26)18-27-22-16-11-8-13-19(22)24/h8-11,13-16H,2-7,12,17-18H2,1H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole?
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole has a molecular weight of 384.95 g/mol, XLogP of 7.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole is sourced from PubChem (CID 16997296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).