1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C17H24N4O2 — CID 111435084

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)NCc1ccccc1CO
InChIInChI=1S/C17H24N4O2/c1-13(11-21-8-7-18-14(21)2)9-19-17(23)20-10-15-5-3-4-6-16(15)12-22/h3-8,13,22H,9-12H2,1-2H3,(H2,19,20,23)
InChIKeyXSLKFIQIQQYSNE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.82
Rot. Bonds7

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 111435084) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID111435084
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)NCc1ccccc1CO
InChIInChI=1S/C17H24N4O2/c1-13(11-21-8-7-18-14(21)2)9-19-17(23)20-10-15-5-3-4-6-16(15)12-22/h3-8,13,22H,9-12H2,1-2H3,(H2,19,20,23)
InChIKeyXSLKFIQIQQYSNE-UHFFFAOYSA-N
XLogP1.82
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719
(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide
CID 60559194
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 95278903
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111630821
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111505551

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 111435084) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is Cc1nccn1CC(C)CNC(=O)NCc1ccccc1CO.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is XSLKFIQIQQYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(11-21-8-7-18-14(21)2)9-19-17(23)20-10-15-5-3-4-6-16(15)12-22/h3-8,13,22H,9-12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 316.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 111435084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).