1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea

C18H20N4O2 — CID 90570353

IUPAC1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
SMILESCOCCNC(=O)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-24-12-10-19-18(23)22(15-7-3-2-4-8-15)14-16-13-20-17-9-5-6-11-21(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,19,23)
InChIKeyNNCKLHYLWRMKSK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.70
Rot. Bonds6

About 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea

1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea (PubChem CID 90570353) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
PubChem CID90570353
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
SMILESCOCCNC(=O)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-24-12-10-19-18(23)22(15-7-3-2-4-8-15)14-16-13-20-17-9-5-6-11-21(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,19,23)
InChIKeyNNCKLHYLWRMKSK-UHFFFAOYSA-N
XLogP2.70
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,5-dimethyl-N-phenylbenzamide
CID 90570160
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126473473
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
CID 90570183
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylnaphthalene-1-carboxamide
CID 90570201
4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
CID 90570258
5-chloro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylthiophene-2-carboxamide
CID 90570305
3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide
CID 90570185
2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
CID 71802014
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyphenyl)-1-methyl-N-phenylpyrazole-5-carboxamide
CID 90570312

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea (CID 90570353) is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea is COCCNC(=O)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea?
The InChIKey is NNCKLHYLWRMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-12-10-19-18(23)22(15-7-3-2-4-8-15)14-16-13-20-17-9-5-6-11-21(16)17/h2-9,11,13H,10,12,14H2,1H3,(H,19,23).
What are the key properties of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea?
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea has a molecular weight of 324.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea is sourced from PubChem (CID 90570353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).