2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole

C20H22N2O — CID 18878621

IUPAC2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
SMILESc1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C20H22N2O/c1-2-8-17(9-3-1)23-15-7-6-14-22-19-11-5-4-10-18(19)21-20(22)16-12-13-16/h1-5,8-11,16H,6-7,12-15H2
InChIKeyISRBKKPOCFTHDB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.77
Rot. Bonds7

About 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole

2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole (PubChem CID 18878621) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
PubChem CID18878621
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
SMILESc1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C20H22N2O/c1-2-8-17(9-3-1)23-15-7-6-14-22-19-11-5-4-10-18(19)21-20(22)16-12-13-16/h1-5,8-11,16H,6-7,12-15H2
InChIKeyISRBKKPOCFTHDB-UHFFFAOYSA-N
XLogP4.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.77
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-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
CID 16996717
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
1-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264733
1-(2-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003355
(4R)-1-(4-chlorophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813996
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole?
The IUPAC name of 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole (CID 18878621) is 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole is c1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole?
The InChIKey is ISRBKKPOCFTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-8-17(9-3-1)23-15-7-6-14-22-19-11-5-4-10-18(19)21-20(22)16-12-13-16/h1-5,8-11,16H,6-7,12-15H2.
What are the key properties of 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole?
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole is sourced from PubChem (CID 18878621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).