1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea

C15H18N6O2 — CID 118776234

IUPAC1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea
SMILESCCCn1cnc2cc(NC(=O)NCc3nnc(C)o3)ccc21
InChIInChI=1S/C15H18N6O2/c1-3-6-21-9-17-12-7-11(4-5-13(12)21)18-15(22)16-8-14-20-19-10(2)23-14/h4-5,7,9H,3,6,8H2,1-2H3,(H2,16,18,22)
InChIKeyUAPVJVFQNUUCIX-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.46
Rot. Bonds5

About 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea (PubChem CID 118776234) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea
PubChem CID118776234
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea
SMILESCCCn1cnc2cc(NC(=O)NCc3nnc(C)o3)ccc21
InChIInChI=1S/C15H18N6O2/c1-3-6-21-9-17-12-7-11(4-5-13(12)21)18-15(22)16-8-14-20-19-10(2)23-14/h4-5,7,9H,3,6,8H2,1-2H3,(H2,16,18,22)
InChIKeyUAPVJVFQNUUCIX-UHFFFAOYSA-N
XLogP2.46
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea 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

1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
dimethyl (E)-2-[(1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168566292
2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
CID 92633758
1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118782846
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 118792906
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72902943
1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea
CID 69021098
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
CID 20974969
cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
CID 72925955
3,7-dipropylimidazo[4,5-f]benzimidazole
CID 46862422
3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 155952946

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea?
The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea (CID 118776234) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea.
What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea?
The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea is CCCn1cnc2cc(NC(=O)NCc3nnc(C)o3)ccc21.
What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea?
The InChIKey is UAPVJVFQNUUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-3-6-21-9-17-12-7-11(4-5-13(12)21)18-15(22)16-8-14-20-19-10(2)23-14/h4-5,7,9H,3,6,8H2,1-2H3,(H2,16,18,22).
What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea?
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea has a molecular weight of 314.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea is sourced from PubChem (CID 118776234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).