1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C15H28N4O2 — CID 110911491

IUPAC1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)NCC(O)CC(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)7-14(20)9-18-15(21)17-8-12(3)10-19-6-5-16-13(19)4/h5-6,11-12,14,20H,7-10H2,1-4H3,(H2,17,18,21)
InChIKeyUHGHXHLEYDKAFE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.53
Rot. Bonds8

About 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 110911491) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID110911491
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)NCC(O)CC(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)7-14(20)9-18-15(21)17-8-12(3)10-19-6-5-16-13(19)4/h5-6,11-12,14,20H,7-10H2,1-4H3,(H2,17,18,21)
InChIKeyUHGHXHLEYDKAFE-UHFFFAOYSA-N
XLogP1.53
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111505551
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111630821
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 110911491) is 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is Cc1nccn1CC(C)CNC(=O)NCC(O)CC(C)C.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is UHGHXHLEYDKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)7-14(20)9-18-15(21)17-8-12(3)10-19-6-5-16-13(19)4/h5-6,11-12,14,20H,7-10H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 296.41 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 110911491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).