2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol

C17H14N4O2 — CID 135932579

IUPAC2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1nc2ccccc2n1Cc1nnc(-c2ccccc2O)o1
InChIInChI=1S/C17H14N4O2/c1-11-18-13-7-3-4-8-14(13)21(11)10-16-19-20-17(23-16)12-6-2-5-9-15(12)22/h2-9,22H,10H2,1H3
InChIKeyXKXNYTMDJYUSSO-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.15
Rot. Bonds3

About 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol

2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135932579) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135932579
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1nc2ccccc2n1Cc1nnc(-c2ccccc2O)o1
InChIInChI=1S/C17H14N4O2/c1-11-18-13-7-3-4-8-14(13)21(11)10-16-19-20-17(23-16)12-6-2-5-9-15(12)22/h2-9,22H,10H2,1H3
InChIKeyXKXNYTMDJYUSSO-UHFFFAOYSA-N
XLogP3.15
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol (CID 135932579) is 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol is Cc1nc2ccccc2n1Cc1nnc(-c2ccccc2O)o1.
What is the InChIKey of 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is XKXNYTMDJYUSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-18-13-7-3-4-8-14(13)21(11)10-16-19-20-17(23-16)12-6-2-5-9-15(12)22/h2-9,22H,10H2,1H3.
What are the key properties of 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 306.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135932579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).