phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol

C17H16N2O — CID 2859128

IUPACphenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol
SMILESC=CCn1c(C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2O/c1-2-12-19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h2-11,16,20H,1,12H2
InChIKeyYPHATWPQCSCPCW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds4

About phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol

phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol (PubChem CID 2859128) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol
PubChem CID2859128
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Namephenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol
SMILESC=CCn1c(C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2O/c1-2-12-19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h2-11,16,20H,1,12H2
InChIKeyYPHATWPQCSCPCW-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol?
The IUPAC name of phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol (CID 2859128) is phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol.
What is the SMILES notation for phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol?
The canonical SMILES for phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol is C=CCn1c(C(O)c2ccccc2)nc2ccccc21.
What is the InChIKey of phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol?
The InChIKey is YPHATWPQCSCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-12-19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h2-11,16,20H,1,12H2.
What are the key properties of phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol?
phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol has a molecular weight of 264.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2859128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).