3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea

C19H28N4O — CID 42819679

IUPAC3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
SMILESCCNC(=O)N(Cc1nccn1Cc1cccc(C)c1)CC(C)C
InChIInChI=1S/C19H28N4O/c1-5-20-19(24)23(12-15(2)3)14-18-21-9-10-22(18)13-17-8-6-7-16(4)11-17/h6-11,15H,5,12-14H2,1-4H3,(H,20,24)
InChIKeyUVKICTYAVCITTB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.43
Rot. Bonds7

About 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea

3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea (PubChem CID 42819679) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
PubChem CID42819679
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
SMILESCCNC(=O)N(Cc1nccn1Cc1cccc(C)c1)CC(C)C
InChIInChI=1S/C19H28N4O/c1-5-20-19(24)23(12-15(2)3)14-18-21-9-10-22(18)13-17-8-6-7-16(4)11-17/h6-11,15H,5,12-14H2,1-4H3,(H,20,24)
InChIKeyUVKICTYAVCITTB-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
CID 42819409
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
CID 42819710
3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
CID 42819947
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42819298
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylphenyl)-1-(2-methylpropyl)urea
CID 4315921
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
The IUPAC name of 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea (CID 42819679) is 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
The canonical SMILES for 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea is CCNC(=O)N(Cc1nccn1Cc1cccc(C)c1)CC(C)C.
What is the InChIKey of 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
The InChIKey is UVKICTYAVCITTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-20-19(24)23(12-15(2)3)14-18-21-9-10-22(18)13-17-8-6-7-16(4)11-17/h6-11,15H,5,12-14H2,1-4H3,(H,20,24).
What are the key properties of 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea has a molecular weight of 328.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 42819679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).