1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea

C18H24N4O2 — CID 95313090

IUPAC1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C18H24N4O2/c1-14(12-22-11-10-19-13-22)20-18(23)21-16-8-4-5-9-17(16)24-15-6-2-3-7-15/h4-5,8-11,13-15H,2-3,6-7,12H2,1H3,(H2,20,21,23)/t14-/m0/s1
InChIKeyXVADCVTUZAMKKN-AWEZNQCLSA-N
MW328.42 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea

1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea (PubChem CID 95313090) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
PubChem CID95313090
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C18H24N4O2/c1-14(12-22-11-10-19-13-22)20-18(23)21-16-8-4-5-9-17(16)24-15-6-2-3-7-15/h4-5,8-11,13-15H,2-3,6-7,12H2,1H3,(H2,20,21,23)/t14-/m0/s1
InChIKeyXVADCVTUZAMKKN-AWEZNQCLSA-N
XLogP3.41
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]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

2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 97088063
2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237
1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97443408
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
N-(2-cyclopentyloxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 119737329
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
CID 126436612
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea (CID 95313090) is 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea is C[C@@H](Cn1ccnc1)NC(=O)Nc1ccccc1OC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea?
The InChIKey is XVADCVTUZAMKKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(12-22-11-10-19-13-22)20-18(23)21-16-8-4-5-9-17(16)24-15-6-2-3-7-15/h4-5,8-11,13-15H,2-3,6-7,12H2,1H3,(H2,20,21,23)/t14-/m0/s1.
What are the key properties of 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea?
1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea has a molecular weight of 328.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95313090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).