N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C12H11N5O3 — CID 166185552

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCc1nnc(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C12H11N5O3/c1-6-16-17-10(20-6)5-13-11(18)7-2-3-8-9(4-7)15-12(19)14-8/h2-4H,5H2,1H3,(H,13,18)(H2,14,15,19)
InChIKeyXNTRJRWQRDGJMN-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.48
Rot. Bonds3

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 166185552) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID166185552
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCc1nnc(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C12H11N5O3/c1-6-16-17-10(20-6)5-13-11(18)7-2-3-8-9(4-7)15-12(19)14-8/h2-4H,5H2,1H3,(H,13,18)(H2,14,15,19)
InChIKeyXNTRJRWQRDGJMN-UHFFFAOYSA-N
XLogP0.48
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
CID 46998360
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 169417127
7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide
CID 172882424

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 166185552) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is Cc1nnc(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is XNTRJRWQRDGJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-6-16-17-10(20-6)5-13-11(18)7-2-3-8-9(4-7)15-12(19)14-8/h2-4H,5H2,1H3,(H,13,18)(H2,14,15,19).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 166185552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).