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

C23H21ClN2O2 — CID 4898002

IUPAC[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C23H21ClN2O2/c24-18-11-4-7-14-21(18)28-16-8-15-26-20-13-6-5-12-19(20)25-23(26)22(27)17-9-2-1-3-10-17/h1-7,9-14,22,27H,8,15-16H2
InChIKeyMDUMFVDYEIZWGJ-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.24
Rot. Bonds7

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

[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol (PubChem CID 4898002) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol
PubChem CID4898002
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C23H21ClN2O2/c24-18-11-4-7-14-21(18)28-16-8-15-26-20-13-6-5-12-19(20)25-23(26)22(27)17-9-2-1-3-10-17/h1-7,9-14,22,27H,8,15-16H2
InChIKeyMDUMFVDYEIZWGJ-UHFFFAOYSA-N
XLogP5.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.24
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

phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
CID 16995165
[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995160
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol
CID 17027835
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969701
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970511
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746
[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995172

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol (CID 4898002) is [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol is OC(c1ccccc1)c1nc2ccccc2n1CCCOc1ccccc1Cl.
What is the InChIKey of [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol?
The InChIKey is MDUMFVDYEIZWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-18-11-4-7-14-21(18)28-16-8-15-26-20-13-6-5-12-19(20)25-23(26)22(27)17-9-2-1-3-10-17/h1-7,9-14,22,27H,8,15-16H2.
What are the key properties of [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol?
[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol has a molecular weight of 392.89 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 4898002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).