phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol

C27H30N2O2 — CID 16995165

IUPACphenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
SMILESCC(C)c1ccccc1OCCCCn1c(C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H30N2O2/c1-20(2)22-14-6-9-17-25(22)31-19-11-10-18-29-24-16-8-7-15-23(24)28-27(29)26(30)21-12-4-3-5-13-21/h3-9,12-17,20,26,30H,10-11,18-19H2,1-2H3
InChIKeyLDABFBNWLGUNDC-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.10
Rot. Bonds9

About phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol

phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol (PubChem CID 16995165) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
PubChem CID16995165
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Namephenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
SMILESCC(C)c1ccccc1OCCCCn1c(C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H30N2O2/c1-20(2)22-14-6-9-17-25(22)31-19-11-10-18-29-24-16-8-7-15-23(24)28-27(29)26(30)21-12-4-3-5-13-21/h3-9,12-17,20,26,30H,10-11,18-19H2,1-2H3
InChIKeyLDABFBNWLGUNDC-UHFFFAOYSA-N
XLogP6.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.10
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-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16987294
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995160
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol
CID 4898002
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995172
2-benzyl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16995610
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol?
The IUPAC name of phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol (CID 16995165) is phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol?
The canonical SMILES for phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol is CC(C)c1ccccc1OCCCCn1c(C(O)c2ccccc2)nc2ccccc21.
What is the InChIKey of phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol?
The InChIKey is LDABFBNWLGUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20(2)22-14-6-9-17-25(22)31-19-11-10-18-29-24-16-8-7-15-23(24)28-27(29)26(30)21-12-4-3-5-13-21/h3-9,12-17,20,26,30H,10-11,18-19H2,1-2H3.
What are the key properties of phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol?
phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol has a molecular weight of 414.55 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 16995165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).