2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole

C24H23ClN2O — CID 16999090

IUPAC2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(C(C)Oc3ccc(Cl)c(C)c3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O/c1-16-7-6-8-19(13-16)15-27-23-10-5-4-9-22(23)26-24(27)18(3)28-20-11-12-21(25)17(2)14-20/h4-14,18H,15H2,1-3H3
InChIKeyKGOIYFLVVDRNCM-UHFFFAOYSA-N
MW390.91 g/mol
LogP6.49
Rot. Bonds5

About 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole

2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole (PubChem CID 16999090) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
PubChem CID16999090
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(C(C)Oc3ccc(Cl)c(C)c3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O/c1-16-7-6-8-19(13-16)15-27-23-10-5-4-9-22(23)26-24(27)18(3)28-20-11-12-21(25)17(2)14-20/h4-14,18H,15H2,1-3H3
InChIKeyKGOIYFLVVDRNCM-UHFFFAOYSA-N
XLogP6.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 16999069
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 16999173
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16999203
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999140
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
CID 16999112
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999210
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148
(4-chloro-3-methylphenyl) 2-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]oxyacetate
CID 46267874
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878014
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole (CID 16999090) is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole is Cc1cccc(Cn2c(C(C)Oc3ccc(Cl)c(C)c3)nc3ccccc32)c1.
What is the InChIKey of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole?
The InChIKey is KGOIYFLVVDRNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O/c1-16-7-6-8-19(13-16)15-27-23-10-5-4-9-22(23)26-24(27)18(3)28-20-11-12-21(25)17(2)14-20/h4-14,18H,15H2,1-3H3.
What are the key properties of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole?
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole has a molecular weight of 390.91 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16999090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).