3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

C17H24N4O3 — CID 122568022

IUPAC3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)N(C)Cc2ncc(C)[nH]2)c1
InChIInChI=1S/C17H24N4O3/c1-11-9-18-16(19-11)10-21(3)17(22)20-12(2)14-8-13(23-4)6-7-15(14)24-5/h6-9,12H,10H2,1-5H3,(H,18,19)(H,20,22)
InChIKeyAMFHIDNUIKSXMS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.64
Rot. Bonds6

About 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 122568022) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
PubChem CID122568022
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)N(C)Cc2ncc(C)[nH]2)c1
InChIInChI=1S/C17H24N4O3/c1-11-9-18-16(19-11)10-21(3)17(22)20-12(2)14-8-13(23-4)6-7-15(14)24-5/h6-9,12H,10H2,1-5H3,(H,18,19)(H,20,22)
InChIKeyAMFHIDNUIKSXMS-UHFFFAOYSA-N
XLogP2.64
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea with MolForge

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Related Compounds

3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55472464
1-[(3-cyanophenyl)methyl]-3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylurea
CID 55629552
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46614542
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (CID 122568022) is 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is COc1ccc(OC)c(C(C)NC(=O)N(C)Cc2ncc(C)[nH]2)c1.
What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is AMFHIDNUIKSXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-9-18-16(19-11)10-21(3)17(22)20-12(2)14-8-13(23-4)6-7-15(14)24-5/h6-9,12H,10H2,1-5H3,(H,18,19)(H,20,22).
What are the key properties of 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 122568022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).