2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide

C14H13N7O — CID 167779974

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
SMILESCCn1c(NC(=O)Cn2cnc(C#N)n2)nc2ccccc21
InChIInChI=1S/C14H13N7O/c1-2-21-11-6-4-3-5-10(11)17-14(21)18-13(22)8-20-9-16-12(7-15)19-20/h3-6,9H,2,8H2,1H3,(H,17,18,22)
InChIKeyUBKHQTDPZGKHNO-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.16
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide (PubChem CID 167779974) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
PubChem CID167779974
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
SMILESCCn1c(NC(=O)Cn2cnc(C#N)n2)nc2ccccc21
InChIInChI=1S/C14H13N7O/c1-2-21-11-6-4-3-5-10(11)17-14(21)18-13(22)8-20-9-16-12(7-15)19-20/h3-6,9H,2,8H2,1H3,(H,17,18,22)
InChIKeyUBKHQTDPZGKHNO-UHFFFAOYSA-N
XLogP1.16
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
N-(1-ethylbenzimidazol-2-yl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 17496655
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(5-amino-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 55157356
4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
CID 120586690
3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
CID 60572664
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide (CID 167779974) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide is CCn1c(NC(=O)Cn2cnc(C#N)n2)nc2ccccc21.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide?
The InChIKey is UBKHQTDPZGKHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-2-21-11-6-4-3-5-10(11)17-14(21)18-13(22)8-20-9-16-12(7-15)19-20/h3-6,9H,2,8H2,1H3,(H,17,18,22).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide has a molecular weight of 295.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 167779974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).