2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole

C16H12N4O — CID 14738184

IUPAC2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C16H12N4O/c1-2-6-11(7-3-1)16-20-19-15(21-16)10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,17,18)
InChIKeyHDKMMBRKVCIVNF-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.20
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole

2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 14738184) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID14738184
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C16H12N4O/c1-2-6-11(7-3-1)16-20-19-15(21-16)10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,17,18)
InChIKeyHDKMMBRKVCIVNF-UHFFFAOYSA-N
XLogP3.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 77081934
4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135923343
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
CID 87640795
CID 87640795
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate
CID 39920834
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 66573857
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
CID 58296357
CID 58296357
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole (CID 14738184) is 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HDKMMBRKVCIVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-6-11(7-3-1)16-20-19-15(21-16)10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 14738184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).