1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea

C13H22N4O — CID 91923962

IUPAC1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C13H22N4O/c1-3-14-13(18)15-7-6-12-16-8-10(2)17(12)9-11-4-5-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,18)
InChIKeyFAGGJHHTYGBRTA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.46
Rot. Bonds6

About 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea

1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea (PubChem CID 91923962) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea
PubChem CID91923962
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C13H22N4O/c1-3-14-13(18)15-7-6-12-16-8-10(2)17(12)9-11-4-5-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,18)
InChIKeyFAGGJHHTYGBRTA-UHFFFAOYSA-N
XLogP1.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea?
The IUPAC name of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea (CID 91923962) is 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea is CCNC(=O)NCCc1ncc(C)n1CC1CC1.
What is the InChIKey of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea?
The InChIKey is FAGGJHHTYGBRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-13(18)15-7-6-12-16-8-10(2)17(12)9-11-4-5-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea?
1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea has a molecular weight of 250.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-ethylurea is sourced from PubChem (CID 91923962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).