1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea

C19H19N7O — CID 55922211

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H19N7O/c27-19(21-9-8-16-12-25-10-2-1-3-18(25)24-16)22-11-15-4-6-17(7-5-15)26-14-20-13-23-26/h1-7,10,12-14H,8-9,11H2,(H2,21,22,27)
InChIKeyLSXDECVGUUOHNG-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.96
Rot. Bonds6

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea (PubChem CID 55922211) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
PubChem CID55922211
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H19N7O/c27-19(21-9-8-16-12-25-10-2-1-3-18(25)24-16)22-11-15-4-6-17(7-5-15)26-14-20-13-23-26/h1-7,10,12-14H,8-9,11H2,(H2,21,22,27)
InChIKeyLSXDECVGUUOHNG-UHFFFAOYSA-N
XLogP1.96
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 47766787
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 31124643
1-[2-(1H-indol-3-yl)ethyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55924498
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 36505486
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
1-(3-hydroxy-4-methylpentyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 111505046
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
1-(5-hydroxy-4,4-dimethylpentyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 111505043
1-[[(1R,2S)-2-phenylcyclopropyl]methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 97081623
N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
CID 162638492
1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 97313536

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea (CID 55922211) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea is O=C(NCCc1cn2ccccc2n1)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea?
The InChIKey is LSXDECVGUUOHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-19(21-9-8-16-12-25-10-2-1-3-18(25)24-16)22-11-15-4-6-17(7-5-15)26-14-20-13-23-26/h1-7,10,12-14H,8-9,11H2,(H2,21,22,27).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea has a molecular weight of 361.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 55922211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).