2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole

C28H32N2O — CID 18879213

IUPAC2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCc1ccc(C(C)C)c(OCCCCn2c(-c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C28H32N2O/c1-20(2)23-16-15-21(3)19-27(23)31-18-10-9-17-30-26-14-8-7-13-25(26)29-28(30)24-12-6-5-11-22(24)4/h5-8,11-16,19-20H,9-10,17-18H2,1-4H3
InChIKeyQGCWLLNILSTGSV-UHFFFAOYSA-N
MW412.58 g/mol
LogP7.30
Rot. Bonds8

About 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole

2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole (PubChem CID 18879213) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
PubChem CID18879213
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCc1ccc(C(C)C)c(OCCCCn2c(-c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C28H32N2O/c1-20(2)23-16-15-21(3)19-27(23)31-18-10-9-17-30-26-14-8-7-13-25(26)29-28(30)24-12-6-5-11-22(24)4/h5-8,11-16,19-20H,9-10,17-18H2,1-4H3
InChIKeyQGCWLLNILSTGSV-UHFFFAOYSA-N
XLogP7.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 57.30
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-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879439
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997646
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]-2-(2-phenylethyl)benzimidazole
CID 18879267
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
2-(3-bromophenyl)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996795
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole (CID 18879213) is 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole is Cc1ccc(C(C)C)c(OCCCCn2c(-c3ccccc3C)nc3ccccc32)c1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
The InChIKey is QGCWLLNILSTGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-20(2)23-16-15-21(3)19-27(23)31-18-10-9-17-30-26-14-8-7-13-25(26)29-28(30)24-12-6-5-11-22(24)4/h5-8,11-16,19-20H,9-10,17-18H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole has a molecular weight of 412.58 g/mol, XLogP of 7.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 18879213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).