N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

C14H15N7O2 — CID 112527657

IUPACN-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2c(C)nc3cc(N)ccc32)n1
InChIInChI=1S/C14H15N7O2/c1-8-17-11-5-10(15)3-4-12(11)21(8)14(23)7-20-16-6-13(19-20)18-9(2)22/h3-6H,7,15H2,1-2H3,(H,18,19,22)
InChIKeyCZLWJTVLEHLUIH-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.82
Rot. Bonds3

About N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112527657) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112527657
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2c(C)nc3cc(N)ccc32)n1
InChIInChI=1S/C14H15N7O2/c1-8-17-11-5-10(15)3-4-12(11)21(8)14(23)7-20-16-6-13(19-20)18-9(2)22/h3-6H,7,15H2,1-2H3,(H,18,19,22)
InChIKeyCZLWJTVLEHLUIH-UHFFFAOYSA-N
XLogP0.82
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526809
N-[2-[2-(5-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527421
N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526659
N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527152
2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 62506711
ethyl N-[1-[2-(6-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523760
(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112527679
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
CID 112528013
2-methylbenzimidazole-1,5-diamine
CID 83418174
2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide
CID 112525520

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112527657) is N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)n2c(C)nc3cc(N)ccc32)n1.
What is the InChIKey of N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is CZLWJTVLEHLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-8-17-11-5-10(15)3-4-12(11)21(8)14(23)7-20-16-6-13(19-20)18-9(2)22/h3-6H,7,15H2,1-2H3,(H,18,19,22).
What are the key properties of N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112527657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).