3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol

C27H30N2O2 — CID 19070854

IUPAC3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol
SMILESOCCCn1c(COc2ccc(C3CCCCC3)cc2)nc2cc3ccccc3cc21
InChIInChI=1S/C27H30N2O2/c30-16-6-15-29-26-18-23-10-5-4-9-22(23)17-25(26)28-27(29)19-31-24-13-11-21(12-14-24)20-7-2-1-3-8-20/h4-5,9-14,17-18,20,30H,1-3,6-8,15-16,19H2
InChIKeyZCVJEWLRPYFAAH-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.20
Rot. Bonds7

About 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol

3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol (PubChem CID 19070854) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol
PubChem CID19070854
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol
SMILESOCCCn1c(COc2ccc(C3CCCCC3)cc2)nc2cc3ccccc3cc21
InChIInChI=1S/C27H30N2O2/c30-16-6-15-29-26-18-23-10-5-4-9-22(23)17-25(26)28-27(29)19-31-24-13-11-21(12-14-24)20-7-2-1-3-8-20/h4-5,9-14,17-18,20,30H,1-3,6-8,15-16,19H2
InChIKeyZCVJEWLRPYFAAH-UHFFFAOYSA-N
XLogP6.20
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol with MolForge

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Related Compounds

3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
2-[2-[(4-cyclopentyloxyphenoxy)methyl]-5-isocyanobenzimidazol-1-yl]ethanol
CID 20585749
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
CID 3631447
3-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 1249463
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756198
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 10601376
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol?
The IUPAC name of 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol (CID 19070854) is 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol is OCCCn1c(COc2ccc(C3CCCCC3)cc2)nc2cc3ccccc3cc21.
What is the InChIKey of 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol?
The InChIKey is ZCVJEWLRPYFAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-16-6-15-29-26-18-23-10-5-4-9-22(23)17-25(26)28-27(29)19-31-24-13-11-21(12-14-24)20-7-2-1-3-8-20/h4-5,9-14,17-18,20,30H,1-3,6-8,15-16,19H2.
What are the key properties of 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol?
3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol has a molecular weight of 414.55 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol is sourced from PubChem (CID 19070854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).