1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea

C11H18N4O2 — CID 23219024

IUPAC1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea
SMILESNC(=O)N(CC1CC1)OCCCc1cnc[nH]1
InChIInChI=1S/C11H18N4O2/c12-11(16)15(7-9-3-4-9)17-5-1-2-10-6-13-8-14-10/h6,8-9H,1-5,7H2,(H2,12,16)(H,13,14)
InChIKeyPZQOUSOLSFOWOD-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.06
Rot. Bonds7

About 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea

1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea (PubChem CID 23219024) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea
PubChem CID23219024
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea
SMILESNC(=O)N(CC1CC1)OCCCc1cnc[nH]1
InChIInChI=1S/C11H18N4O2/c12-11(16)15(7-9-3-4-9)17-5-1-2-10-6-13-8-14-10/h6,8-9H,1-5,7H2,(H2,12,16)(H,13,14)
InChIKeyPZQOUSOLSFOWOD-UHFFFAOYSA-N
XLogP1.06
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 23219067
guanidine;3-(1H-imidazol-5-yl)propyl hydrogen sulfate
CID 174589789
3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
CID 10522002
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529492
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61151381
cyclopropylmethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61150588

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea (CID 23219024) is 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea is NC(=O)N(CC1CC1)OCCCc1cnc[nH]1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea?
The InChIKey is PZQOUSOLSFOWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-11(16)15(7-9-3-4-9)17-5-1-2-10-6-13-8-14-10/h6,8-9H,1-5,7H2,(H2,12,16)(H,13,14).
What are the key properties of 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea?
1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea has a molecular weight of 238.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea is sourced from PubChem (CID 23219024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).