1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C15H24N4O2 — CID 111630821

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H24N4O2/c1-11(9-19-6-5-16-12(19)2)8-17-15(21)18-14-4-3-13(7-14)10-20/h3-6,11,13-14,20H,7-10H2,1-2H3,(H2,17,18,21)/t11?,13-,14+/m0/s1
InChIKeyVYBBIILKSOSDQI-SBKAZOPESA-N
MW292.38 g/mol
LogP1.06
Rot. Bonds6

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 111630821) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID111630821
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H24N4O2/c1-11(9-19-6-5-16-12(19)2)8-17-15(21)18-14-4-3-13(7-14)10-20/h3-6,11,13-14,20H,7-10H2,1-2H3,(H2,17,18,21)/t11?,13-,14+/m0/s1
InChIKeyVYBBIILKSOSDQI-SBKAZOPESA-N
XLogP1.06
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 97054799
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 110911484
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630627
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111631045
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 111630821) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is Cc1nccn1CC(C)CNC(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is VYBBIILKSOSDQI-SBKAZOPESA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(9-19-6-5-16-12(19)2)8-17-15(21)18-14-4-3-13(7-14)10-20/h3-6,11,13-14,20H,7-10H2,1-2H3,(H2,17,18,21)/t11?,13-,14+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 111630821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).