2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole

C21H24N2O2 — CID 16996713

IUPAC2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1cccc(OCCCCn2c(C3CC3)nc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-24-17-7-6-8-18(15-17)25-14-5-4-13-23-20-10-3-2-9-19(20)22-21(23)16-11-12-16/h2-3,6-10,15-16H,4-5,11-14H2,1H3
InChIKeyLJVXDDDPSKSJJS-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.78
Rot. Bonds8

About 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole

2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole (PubChem CID 16996713) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
PubChem CID16996713
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1cccc(OCCCCn2c(C3CC3)nc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-24-17-7-6-8-18(15-17)25-14-5-4-13-23-20-10-3-2-9-19(20)22-21(23)16-11-12-16/h2-3,6-10,15-16H,4-5,11-14H2,1H3
InChIKeyLJVXDDDPSKSJJS-UHFFFAOYSA-N
XLogP4.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.78
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-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
1-(3,5-dimethylphenyl)-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004261
(4R)-1-benzyl-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813436
2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
CID 16996717
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
1-(2,5-dimethoxyphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003856
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002555
1-(3,4-dimethylphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004372

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole (CID 16996713) is 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole is COc1cccc(OCCCCn2c(C3CC3)nc3ccccc32)c1.
What is the InChIKey of 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is LJVXDDDPSKSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-17-7-6-8-18(15-17)25-14-5-4-13-23-20-10-3-2-9-19(20)22-21(23)16-11-12-16/h2-3,6-10,15-16H,4-5,11-14H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 336.44 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16996713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).