N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide

C14H16N4O2 — CID 115620128

IUPACN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCc1ncc[nH]1
InChIInChI=1S/C14H16N4O2/c19-13(17-7-6-12-15-8-9-16-12)10-18-14(20)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,15,16)(H,17,19)(H,18,20)
InChIKeyHUIFCZOHEFRAQV-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.50
Rot. Bonds6

About N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 115620128) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
PubChem CID115620128
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCc1ncc[nH]1
InChIInChI=1S/C14H16N4O2/c19-13(17-7-6-12-15-8-9-16-12)10-18-14(20)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,15,16)(H,17,19)(H,18,20)
InChIKeyHUIFCZOHEFRAQV-UHFFFAOYSA-N
XLogP0.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115668385
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
CID 115748951
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide (CID 115620128) is N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is HUIFCZOHEFRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(17-7-6-12-15-8-9-16-12)10-18-14(20)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,15,16)(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 272.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115620128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).