1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea

C11H18N4O — CID 116657997

IUPAC1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESO=C(NCCCc1ncc[nH]1)NC1CCC1
InChIInChI=1S/C11H18N4O/c16-11(15-9-3-1-4-9)14-6-2-5-10-12-7-8-13-10/h7-9H,1-6H2,(H,12,13)(H2,14,15,16)
InChIKeyFXKYNHYTNDURHL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds5

About 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea

1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea (PubChem CID 116657997) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
PubChem CID116657997
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESO=C(NCCCc1ncc[nH]1)NC1CCC1
InChIInChI=1S/C11H18N4O/c16-11(15-9-3-1-4-9)14-6-2-5-10-12-7-8-13-10/h7-9H,1-6H2,(H,12,13)(H2,14,15,16)
InChIKeyFXKYNHYTNDURHL-UHFFFAOYSA-N
XLogP1.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893830
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 91777804
1-cyclopropyl-3-[2-(1H-imidazol-2-yl)ethyl]thiourea
CID 116510338
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
(1S,6R)-6-[3-(1H-imidazol-2-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962746
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
2-(3-ethoxycyclobutyl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 103164863
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118773109

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea (CID 116657997) is 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea is O=C(NCCCc1ncc[nH]1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea?
The InChIKey is FXKYNHYTNDURHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(15-9-3-1-4-9)14-6-2-5-10-12-7-8-13-10/h7-9H,1-6H2,(H,12,13)(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea?
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea has a molecular weight of 222.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 116657997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).