1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea

C18H16F3N5O2 — CID 167782875

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea
SMILESO=C(NCCc1cn2ccccc2n1)NNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)13-5-3-4-12(10-13)16(27)24-25-17(28)22-8-7-14-11-26-9-2-1-6-15(26)23-14/h1-6,9-11H,7-8H2,(H,24,27)(H2,22,25,28)
InChIKeyQCBKPALLRVOAAG-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea (PubChem CID 167782875) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea
PubChem CID167782875
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea
SMILESO=C(NCCc1cn2ccccc2n1)NNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)13-5-3-4-12(10-13)16(27)24-25-17(28)22-8-7-14-11-26-9-2-1-6-15(26)23-14/h1-6,9-11H,7-8H2,(H,24,27)(H2,22,25,28)
InChIKeyQCBKPALLRVOAAG-UHFFFAOYSA-N
XLogP2.54
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 36505486
1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 78858222
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429914
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiophene-3-carboxamide
CID 32834557
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631
1-(2-fluoro-6-phenoxyphenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 86899115

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea (CID 167782875) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea is O=C(NCCc1cn2ccccc2n1)NNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea?
The InChIKey is QCBKPALLRVOAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)13-5-3-4-12(10-13)16(27)24-25-17(28)22-8-7-14-11-26-9-2-1-6-15(26)23-14/h1-6,9-11H,7-8H2,(H,24,27)(H2,22,25,28).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea has a molecular weight of 391.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea is sourced from PubChem (CID 167782875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).