2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol

C23H24N2O2 — CID 19242286

IUPAC2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C23H24N2O2/c1-23(2,26)22-24-19-12-5-6-13-20(19)25(22)15-8-16-27-21-14-7-10-17-9-3-4-11-18(17)21/h3-7,9-14,26H,8,15-16H2,1-2H3
InChIKeyZRDSXNKYZHZUEA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.89
Rot. Bonds6

About 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol

2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol (PubChem CID 19242286) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
PubChem CID19242286
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C23H24N2O2/c1-23(2,26)22-24-19-12-5-6-13-20(19)25(22)15-8-16-27-21-14-7-10-17-9-3-4-11-18(17)21/h3-7,9-14,26H,8,15-16H2,1-2H3
InChIKeyZRDSXNKYZHZUEA-UHFFFAOYSA-N
XLogP4.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propan-2-ol
CID 19242287
2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 17027789
2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol
CID 19242272
2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 19242241
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879150
1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879223
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide
CID 155547270
N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol (CID 19242286) is 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol is CC(C)(O)c1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol?
The InChIKey is ZRDSXNKYZHZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,26)22-24-19-12-5-6-13-20(19)25(22)15-8-16-27-21-14-7-10-17-9-3-4-11-18(17)21/h3-7,9-14,26H,8,15-16H2,1-2H3.
What are the key properties of 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol?
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol has a molecular weight of 360.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 19242286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).