[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol

C17H18N2O2 — CID 67250603

IUPAC[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol
SMILESCCn1c(CO)nc2cc(-c3ccc(OC)cc3)ccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-16-9-6-13(10-15(16)18-17(19)11-20)12-4-7-14(21-2)8-5-12/h4-10,20H,3,11H2,1-2H3
InChIKeyDKFNVFOKVRRLEB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.22
Rot. Bonds4

About [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol

[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol (PubChem CID 67250603) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol
PubChem CID67250603
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol
SMILESCCn1c(CO)nc2cc(-c3ccc(OC)cc3)ccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-16-9-6-13(10-15(16)18-17(19)11-20)12-4-7-14(21-2)8-5-12/h4-10,20H,3,11H2,1-2H3
InChIKeyDKFNVFOKVRRLEB-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol (CID 67250603) is [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol is CCn1c(CO)nc2cc(-c3ccc(OC)cc3)ccc21.
What is the InChIKey of [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol?
The InChIKey is DKFNVFOKVRRLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-16-9-6-13(10-15(16)18-17(19)11-20)12-4-7-14(21-2)8-5-12/h4-10,20H,3,11H2,1-2H3.
What are the key properties of [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol?
[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 67250603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).