N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide

C15H18N4O2 — CID 115670758

IUPACN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCc2ncc[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-2-4-12(5-3-11)15(21)19-10-14(20)18-7-6-13-16-8-9-17-13/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyIRAFRVYCQFRGTP-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.81
Rot. Bonds6

About N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 115670758) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID115670758
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCc2ncc[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-2-4-12(5-3-11)15(21)19-10-14(20)18-7-6-13-16-8-9-17-13/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyIRAFRVYCQFRGTP-UHFFFAOYSA-N
XLogP0.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115668385
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide (CID 115670758) is N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCCc2ncc[nH]2)cc1.
What is the InChIKey of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is IRAFRVYCQFRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-2-4-12(5-3-11)15(21)19-10-14(20)18-7-6-13-16-8-9-17-13/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 286.34 g/mol, XLogP of 0.81, 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]-4-methylbenzamide is sourced from PubChem (CID 115670758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).