1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea

C12H20N4O2 — CID 47229107

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCC1CCOC1
InChIInChI=1S/C12H20N4O2/c1-10(7-16-4-3-13-9-16)15-12(17)14-6-11-2-5-18-8-11/h3-4,9-11H,2,5-8H2,1H3,(H2,14,15,17)
InChIKeyQCQMBIKVQXCQNJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.61
Rot. Bonds5

About 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea

1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea (PubChem CID 47229107) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
PubChem CID47229107
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCC1CCOC1
InChIInChI=1S/C12H20N4O2/c1-10(7-16-4-3-13-9-16)15-12(17)14-6-11-2-5-18-8-11/h3-4,9-11H,2,5-8H2,1H3,(H2,14,15,17)
InChIKeyQCQMBIKVQXCQNJ-UHFFFAOYSA-N
XLogP0.61
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea 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

1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 97084850
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 97087354
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea (CID 47229107) is 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea is CC(Cn1ccnc1)NC(=O)NCC1CCOC1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea?
The InChIKey is QCQMBIKVQXCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(7-16-4-3-13-9-16)15-12(17)14-6-11-2-5-18-8-11/h3-4,9-11H,2,5-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea?
1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea has a molecular weight of 252.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 47229107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).