1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea

C7H11N5O — CID 137274384

IUPAC1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
SMILESCCNC(=O)N/N=C/c1cnc[nH]1
InChIInChI=1S/C7H11N5O/c1-2-9-7(13)12-11-4-6-3-8-5-10-6/h3-5H,2H2,1H3,(H,8,10)(H2,9,12,13)/b11-4+
InChIKeyATUXQABYZZTLRX-NYYWCZLTSA-N
MW181.20 g/mol
LogP0.06
Rot. Bonds3

About 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea

1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea (PubChem CID 137274384) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
PubChem CID137274384
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
SMILESCCNC(=O)N/N=C/c1cnc[nH]1
InChIInChI=1S/C7H11N5O/c1-2-9-7(13)12-11-4-6-3-8-5-10-6/h3-5H,2H2,1H3,(H,8,10)(H2,9,12,13)/b11-4+
InChIKeyATUXQABYZZTLRX-NYYWCZLTSA-N
XLogP0.06
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-1H-imidazol-5-ylmethylideneamino]-1,1-dimethylurea
CID 137262438
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634
2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide
CID 166801161
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
1-(1H-imidazol-5-yl)-N-propylmethanimine
CID 135966105
N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide
CID 173259363
2-(1H-imidazol-5-ylmethylideneamino)propanoic acid
CID 137241948
2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-1H-imidazol-5-ylmethylideneamino]carbamoyl]benzoic acid
CID 136504140
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 91343948
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
CID 137270215

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea?
The IUPAC name of 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea (CID 137274384) is 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea.
What is the SMILES notation for 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea?
The canonical SMILES for 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea is CCNC(=O)N/N=C/c1cnc[nH]1.
What is the InChIKey of 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea?
The InChIKey is ATUXQABYZZTLRX-NYYWCZLTSA-N. The full InChI is InChI=1S/C7H11N5O/c1-2-9-7(13)12-11-4-6-3-8-5-10-6/h3-5H,2H2,1H3,(H,8,10)(H2,9,12,13)/b11-4+.
What are the key properties of 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea?
1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea has a molecular weight of 181.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea is sourced from PubChem (CID 137274384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).