3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea

C19H26N4O3 — CID 126428019

IUPAC3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
SMILESCc1cnc(CNC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)[nH]1
InChIInChI=1S/C19H26N4O3/c1-15-12-20-18(22-15)13-21-19(24)23(14-17-8-5-10-25-17)9-11-26-16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,20,22)(H,21,24)/t17-/m0/s1
InChIKeyKMCWPLDMWDLYNF-KRWDZBQOSA-N
MW358.44 g/mol
LogP2.49
Rot. Bonds8

About 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea

3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea (PubChem CID 126428019) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
PubChem CID126428019
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
SMILESCc1cnc(CNC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)[nH]1
InChIInChI=1S/C19H26N4O3/c1-15-12-20-18(22-15)13-21-19(24)23(14-17-8-5-10-25-17)9-11-26-16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,20,22)(H,21,24)/t17-/m0/s1
InChIKeyKMCWPLDMWDLYNF-KRWDZBQOSA-N
XLogP2.49
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea with MolForge

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Related Compounds

2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 97444246
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 125163368
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121497075
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
CID 131903163
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The IUPAC name of 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea (CID 126428019) is 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The canonical SMILES for 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea is Cc1cnc(CNC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The InChIKey is KMCWPLDMWDLYNF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15-12-20-18(22-15)13-21-19(24)23(14-17-8-5-10-25-17)9-11-26-16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,20,22)(H,21,24)/t17-/m0/s1.
What are the key properties of 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea has a molecular weight of 358.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 126428019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).