[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol

C18H19ClN2O2 — CID 5090775

IUPAC[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
SMILESCc1cc(OCCCn2c(CO)nc3ccccc32)ccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13-11-14(7-8-15(13)19)23-10-4-9-21-17-6-3-2-5-16(17)20-18(21)12-22/h2-3,5-8,11,22H,4,9-10,12H2,1H3
InChIKeyGJNWZLLGDFNTRY-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.96
Rot. Bonds6

About [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol

[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol (PubChem CID 5090775) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
PubChem CID5090775
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
SMILESCc1cc(OCCCn2c(CO)nc3ccccc32)ccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13-11-14(7-8-15(13)19)23-10-4-9-21-17-6-3-2-5-16(17)20-18(21)12-22/h2-3,5-8,11,22H,4,9-10,12H2,1H3
InChIKeyGJNWZLLGDFNTRY-UHFFFAOYSA-N
XLogP3.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.96
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-[[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 6494355
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980598
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
N-[[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 16968960
N-[5-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988874
(Z)-N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987113
N-[2-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978852
N-[5-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988712
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981501

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol (CID 5090775) is [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol is Cc1cc(OCCCn2c(CO)nc3ccccc32)ccc1Cl.
What is the InChIKey of [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The InChIKey is GJNWZLLGDFNTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-11-14(7-8-15(13)19)23-10-4-9-21-17-6-3-2-5-16(17)20-18(21)12-22/h2-3,5-8,11,22H,4,9-10,12H2,1H3.
What are the key properties of [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol has a molecular weight of 330.82 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 5090775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).