2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole

C23H28N2O — CID 16996717

IUPAC2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCC(C)c1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C23H28N2O/c1-17(2)18-11-13-20(14-12-18)26-16-6-5-15-25-22-8-4-3-7-21(22)24-23(25)19-9-10-19/h3-4,7-8,11-14,17,19H,5-6,9-10,15-16H2,1-2H3
InChIKeyRFHOHFIDLITBSB-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.90
Rot. Bonds8

About 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole

2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole (PubChem CID 16996717) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
PubChem CID16996717
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCC(C)c1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C23H28N2O/c1-17(2)18-11-13-20(14-12-18)26-16-6-5-15-25-22-8-4-3-7-21(22)24-23(25)19-9-10-19/h3-4,7-8,11-14,17,19H,5-6,9-10,15-16H2,1-2H3
InChIKeyRFHOHFIDLITBSB-UHFFFAOYSA-N
XLogP5.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.90
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

2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
1-[3-(4-butan-2-ylphenoxy)propyl]-2-cyclohexylbenzimidazole
CID 16996626
1-(3,5-dimethylphenyl)-4-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004267
1-benzyl-4-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005501
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
1-(2,5-dimethoxyphenyl)-4-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003889
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
1-benzyl-4-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005481
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
1-(3-bromophenyl)-4-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242714
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole (CID 16996717) is 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole is CC(C)c1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1.
What is the InChIKey of 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole?
The InChIKey is RFHOHFIDLITBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(2)18-11-13-20(14-12-18)26-16-6-5-15-25-22-8-4-3-7-21(22)24-23(25)19-9-10-19/h3-4,7-8,11-14,17,19H,5-6,9-10,15-16H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole?
2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole has a molecular weight of 348.49 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16996717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).