1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol

C18H15ClN4O2 — CID 2999835

IUPAC1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN4O2/c1-11(24)17-20-14-4-2-3-5-15(14)23(17)10-16-21-22-18(25-16)12-6-8-13(19)9-7-12/h2-9,11,24H,10H2,1H3
InChIKeySAPOCDSZEOUDOK-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.84
Rot. Bonds4

About 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol

1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol (PubChem CID 2999835) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol
PubChem CID2999835
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN4O2/c1-11(24)17-20-14-4-2-3-5-15(14)23(17)10-16-21-22-18(25-16)12-6-8-13(19)9-7-12/h2-9,11,24H,10H2,1H3
InChIKeySAPOCDSZEOUDOK-UHFFFAOYSA-N
XLogP3.84
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol (CID 2999835) is 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol?
The InChIKey is SAPOCDSZEOUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11(24)17-20-14-4-2-3-5-15(14)23(17)10-16-21-22-18(25-16)12-6-8-13(19)9-7-12/h2-9,11,24H,10H2,1H3.
What are the key properties of 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol?
1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol has a molecular weight of 354.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 2999835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).