1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea

C19H24N6O — CID 118773217

IUPAC1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
SMILESCCc1nccn1CCCNC(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C19H24N6O/c1-3-18-21-10-13-24(18)12-4-9-22-19(26)23-16-5-7-17(8-6-16)25-14-11-20-15(25)2/h5-8,10-11,13-14H,3-4,9,12H2,1-2H3,(H2,22,23,26)
InChIKeyRRKSWPLEHCLWBZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.15
Rot. Bonds7

About 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea

1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea (PubChem CID 118773217) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
PubChem CID118773217
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
SMILESCCc1nccn1CCCNC(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C19H24N6O/c1-3-18-21-10-13-24(18)12-4-9-22-19(26)23-16-5-7-17(8-6-16)25-14-11-20-15(25)2/h5-8,10-11,13-14H,3-4,9,12H2,1-2H3,(H2,22,23,26)
InChIKeyRRKSWPLEHCLWBZ-UHFFFAOYSA-N
XLogP3.15
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
CID 118782102
1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 72924769
1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 118777639
N-[4-(2-ethylimidazol-1-yl)phenyl]propanamide
CID 12797181
N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402347
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[3-(2-propan-2-ylimidazol-1-yl)propyl]urea
CID 72933036
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-[4-(2-ethylimidazol-1-yl)phenyl]-4-methylbenzamide
CID 12797145

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea (CID 118773217) is 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea is CCc1nccn1CCCNC(=O)Nc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The InChIKey is RRKSWPLEHCLWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-18-21-10-13-24(18)12-4-9-22-19(26)23-16-5-7-17(8-6-16)25-14-11-20-15(25)2/h5-8,10-11,13-14H,3-4,9,12H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 118773217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).