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

C14H24N4O2 — CID 111618731

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)NCC1(CO)CC1
InChIInChI=1S/C14H24N4O2/c1-11(8-18-6-5-15-12(18)2)7-16-13(20)17-9-14(10-19)3-4-14/h5-6,11,19H,3-4,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyQAWQAJRBSLDVQW-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.90
Rot. Bonds7

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

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 111618731) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID111618731
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CC(C)CNC(=O)NCC1(CO)CC1
InChIInChI=1S/C14H24N4O2/c1-11(8-18-6-5-15-12(18)2)7-16-13(20)17-9-14(10-19)3-4-14/h5-6,11,19H,3-4,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyQAWQAJRBSLDVQW-UHFFFAOYSA-N
XLogP0.90
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea with MolForge

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Related Compounds

1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111630821
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
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
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 111618731) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is Cc1nccn1CC(C)CNC(=O)NCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is QAWQAJRBSLDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(8-18-6-5-15-12(18)2)7-16-13(20)17-9-14(10-19)3-4-14/h5-6,11,19H,3-4,7-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 280.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 111618731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).