4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol

C17H18N2O2 — CID 5328502

IUPAC4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol
SMILESOCCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C17H18N2O2/c20-10-4-5-11-21-15-8-9-17-16(12-15)18-13-19(17)14-6-2-1-3-7-14/h1-3,6-9,12-13,20H,4-5,10-11H2
InChIKeyQLIKXIFXWPYGPR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.18
Rot. Bonds6

About 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol

4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol (PubChem CID 5328502) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol
PubChem CID5328502
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol
SMILESOCCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C17H18N2O2/c20-10-4-5-11-21-15-8-9-17-16(12-15)18-13-19(17)14-6-2-1-3-7-14/h1-3,6-9,12-13,20H,4-5,10-11H2
InChIKeyQLIKXIFXWPYGPR-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol?
The IUPAC name of 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol (CID 5328502) is 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol.
What is the SMILES notation for 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol?
The canonical SMILES for 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol is OCCCCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol?
The InChIKey is QLIKXIFXWPYGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-10-4-5-11-21-15-8-9-17-16(12-15)18-13-19(17)14-6-2-1-3-7-14/h1-3,6-9,12-13,20H,4-5,10-11H2.
What are the key properties of 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol?
4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol has a molecular weight of 282.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbenzimidazol-5-yl)oxybutan-1-ol is sourced from PubChem (CID 5328502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).