2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea

C10H17N5O — CID 83109168

IUPAC2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cncn1C1CC1
InChIInChI=1S/C10H17N5O/c11-10(16)14-4-3-12-5-9-6-13-7-15(9)8-1-2-8/h6-8,12H,1-5H2,(H3,11,14,16)
InChIKeyLMESTIXDWJUXCS-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.02
Rot. Bonds6

About 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea

2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea (PubChem CID 83109168) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
PubChem CID83109168
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cncn1C1CC1
InChIInChI=1S/C10H17N5O/c11-10(16)14-4-3-12-5-9-6-13-7-15(9)8-1-2-8/h6-8,12H,1-5H2,(H3,11,14,16)
InChIKeyLMESTIXDWJUXCS-UHFFFAOYSA-N
XLogP-0.02
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
3-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylpropanamide
CID 113409676
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
CID 66140791
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
CID 114331505
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295493

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea (CID 83109168) is 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea is NC(=O)NCCNCc1cncn1C1CC1.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea?
The InChIKey is LMESTIXDWJUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-10(16)14-4-3-12-5-9-6-13-7-15(9)8-1-2-8/h6-8,12H,1-5H2,(H3,11,14,16).
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea?
2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea has a molecular weight of 223.28 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea is sourced from PubChem (CID 83109168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).