1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole

C24H26N2OS — CID 19242984

IUPAC1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCC(C)c1ccc(OCCCn2c(Cc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N2OS/c1-18(2)19-10-12-20(13-11-19)27-15-6-14-26-23-9-4-3-8-22(23)25-24(26)17-21-7-5-16-28-21/h3-5,7-13,16,18H,6,14-15,17H2,1-2H3
InChIKeyHTHHQACKHYOTFO-UHFFFAOYSA-N
MW390.55 g/mol
LogP6.28
Rot. Bonds8

About 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole

1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 19242984) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
PubChem CID19242984
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCC(C)c1ccc(OCCCn2c(Cc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N2OS/c1-18(2)19-10-12-20(13-11-19)27-15-6-14-26-23-9-4-3-8-22(23)25-24(26)17-21-7-5-16-28-21/h3-5,7-13,16,18H,6,14-15,17H2,1-2H3
InChIKeyHTHHQACKHYOTFO-UHFFFAOYSA-N
XLogP6.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965650

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole (CID 19242984) is 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole is CC(C)c1ccc(OCCCn2c(Cc3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is HTHHQACKHYOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-18(2)19-10-12-20(13-11-19)27-15-6-14-26-23-9-4-3-8-22(23)25-24(26)17-21-7-5-16-28-21/h3-5,7-13,16,18H,6,14-15,17H2,1-2H3.
What are the key properties of 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 390.55 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 19242984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).