1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea

C14H24N4O2 — CID 125145804

IUPAC1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea
SMILESCc1nccn1CCNC(=O)N(C)C[C@@H]1CCCCO1
InChIInChI=1S/C14H24N4O2/c1-12-15-6-8-18(12)9-7-16-14(19)17(2)11-13-5-3-4-10-20-13/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyUNLSAFDOXVGTFU-ZDUSSCGKSA-N
MW280.37 g/mol
LogP1.40
Rot. Bonds5

About 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea

1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea (PubChem CID 125145804) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea
PubChem CID125145804
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea
SMILESCc1nccn1CCNC(=O)N(C)C[C@@H]1CCCCO1
InChIInChI=1S/C14H24N4O2/c1-12-15-6-8-18(12)9-7-16-14(19)17(2)11-13-5-3-4-10-20-13/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyUNLSAFDOXVGTFU-ZDUSSCGKSA-N
XLogP1.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 119130029
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86826801
1-methyl-1-(oxan-2-ylmethyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 121499289
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86861539
1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 71868078
1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]urea
CID 126428107
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
N,1,2,5-tetramethyl-N-(oxan-2-ylmethyl)pyrrole-3-carboxamide
CID 135113148
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111772275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea (CID 125145804) is 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea is Cc1nccn1CCNC(=O)N(C)C[C@@H]1CCCCO1.
What is the InChIKey of 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
The InChIKey is UNLSAFDOXVGTFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12-15-6-8-18(12)9-7-16-14(19)17(2)11-13-5-3-4-10-20-13/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea is sourced from PubChem (CID 125145804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).