2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol

C18H19ClN2O2 — CID 17027835

IUPAC2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESOCCc1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c19-14-6-1-4-9-17(14)23-13-5-11-21-16-8-3-2-7-15(16)20-18(21)10-12-22/h1-4,6-9,22H,5,10-13H2
InChIKeyIUMBHUGRPPTNQK-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.69
Rot. Bonds7

About 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol

2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol (PubChem CID 17027835) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol
PubChem CID17027835
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESOCCc1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c19-14-6-1-4-9-17(14)23-13-5-11-21-16-8-3-2-7-15(16)20-18(21)10-12-22/h1-4,6-9,22H,5,10-13H2
InChIKeyIUMBHUGRPPTNQK-UHFFFAOYSA-N
XLogP3.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.69
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

N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
2-[3-(azepan-1-yl)propyl]-1-[4-(2-chlorophenoxy)butyl]benzimidazole
CID 18885679
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986079
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888867
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976753
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
4-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]morpholin-4-ium
CID 7425417
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide
CID 139033693

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol (CID 17027835) is 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol is OCCc1nc2ccccc2n1CCCOc1ccccc1Cl.
What is the InChIKey of 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol?
The InChIKey is IUMBHUGRPPTNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-6-1-4-9-17(14)23-13-5-11-21-16-8-3-2-7-15(16)20-18(21)10-12-22/h1-4,6-9,22H,5,10-13H2.
What are the key properties of 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol?
2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol has a molecular weight of 330.82 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 17027835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).