1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea

C17H21N7O — CID 71992331

IUPAC1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCCc1nncn1CCNC(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C17H21N7O/c1-3-15-22-20-12-24(15)10-8-19-17(25)21-14-6-4-5-13(11-14)16-18-7-9-23(16)2/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,19,21,25)
InChIKeyHUMUJCKIDIDJFL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds6

About 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea

1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea (PubChem CID 71992331) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
PubChem CID71992331
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCCc1nncn1CCNC(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C17H21N7O/c1-3-15-22-20-12-24(15)10-8-19-17(25)21-14-6-4-5-13(11-14)16-18-7-9-23(16)2/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,19,21,25)
InChIKeyHUMUJCKIDIDJFL-UHFFFAOYSA-N
XLogP2.06
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-hydroxy-4,4-dimethylpentyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474629
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 72924769
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773
1-(2-hydroxy-2,5-dimethylhexyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453466
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
1-(3-ethylphenyl)-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111822170
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The IUPAC name of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea (CID 71992331) is 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea is CCc1nncn1CCNC(=O)Nc1cccc(-c2nccn2C)c1.
What is the InChIKey of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The InChIKey is HUMUJCKIDIDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-15-22-20-12-24(15)10-8-19-17(25)21-14-6-4-5-13(11-14)16-18-7-9-23(16)2/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,19,21,25).
What are the key properties of 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea has a molecular weight of 339.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea is sourced from PubChem (CID 71992331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).