1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea

C8H14N4O — CID 65231782

IUPAC1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESCCNC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H14N4O/c1-2-10-8(13)11-4-3-7-5-9-6-12-7/h5-6H,2-4H2,1H3,(H,9,12)(H2,10,11,13)
InChIKeyPERNOFUOUJHFJA-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.27
Rot. Bonds4

About 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea

1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea (PubChem CID 65231782) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
PubChem CID65231782
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESCCNC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H14N4O/c1-2-10-8(13)11-4-3-7-5-9-6-12-7/h5-6H,2-4H2,1H3,(H,9,12)(H2,10,11,13)
InChIKeyPERNOFUOUJHFJA-UHFFFAOYSA-N
XLogP0.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
CID 65231536
(2S)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107567139
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
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3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
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3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
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CID 65231458

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea (CID 65231782) is 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea is CCNC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The InChIKey is PERNOFUOUJHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-10-8(13)11-4-3-7-5-9-6-12-7/h5-6H,2-4H2,1H3,(H,9,12)(H2,10,11,13).
What are the key properties of 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea?
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea has a molecular weight of 182.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 65231782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).