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

C12H13N3O — CID 565505

IUPACN-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O/c16-12(10-4-2-1-3-5-10)14-7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2,(H,13,15)(H,14,16)
InChIKeyDAUCLDROLUGJDY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.38
Rot. Bonds4

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

N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 565505) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID565505
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O/c16-12(10-4-2-1-3-5-10)14-7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2,(H,13,15)(H,14,16)
InChIKeyDAUCLDROLUGJDY-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 565505) is N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]benzamide is O=C(NCCc1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is DAUCLDROLUGJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(10-4-2-1-3-5-10)14-7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 215.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 565505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).