2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide

C14H14N4O — CID 91831456

IUPAC2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccccc2C#N)[nH]1
InChIInChI=1S/C14H14N4O/c1-9-8-16-13(17-9)10(2)18-14(19)12-6-4-3-5-11(12)7-15/h3-6,8,10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyAMUWJFZTRBHHAK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.08
Rot. Bonds3

About 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide

2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 91831456) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
PubChem CID91831456
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccccc2C#N)[nH]1
InChIInChI=1S/C14H14N4O/c1-9-8-16-13(17-9)10(2)18-14(19)12-6-4-3-5-11(12)7-15/h3-6,8,10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyAMUWJFZTRBHHAK-UHFFFAOYSA-N
XLogP2.08
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide (CID 91831456) is 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccccc2C#N)[nH]1.
What is the InChIKey of 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is AMUWJFZTRBHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-8-16-13(17-9)10(2)18-14(19)12-6-4-3-5-11(12)7-15/h3-6,8,10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 91831456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).