[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea

C14H17N5O3 — CID 168533023

IUPAC[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cccc(C=NNC(N)=O)c1OCCn1ccnc1
InChIInChI=1S/C14H17N5O3/c1-21-12-4-2-3-11(9-17-18-14(15)20)13(12)22-8-7-19-6-5-16-10-19/h2-6,9-10H,7-8H2,1H3,(H3,15,18,20)
InChIKeyHYWGRUMNACFFJL-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.97
Rot. Bonds7

About [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea

[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea (PubChem CID 168533023) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea
PubChem CID168533023
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cccc(C=NNC(N)=O)c1OCCn1ccnc1
InChIInChI=1S/C14H17N5O3/c1-21-12-4-2-3-11(9-17-18-14(15)20)13(12)22-8-7-19-6-5-16-10-19/h2-6,9-10H,7-8H2,1H3,(H3,15,18,20)
InChIKeyHYWGRUMNACFFJL-UHFFFAOYSA-N
XLogP0.97
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]thiourea
CID 168535446
[[3-methoxy-2-[3-(5-methyl-2-propan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3614918
methyl (2E)-2-[(2Z)-2-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172926035
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
CID 168535434
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetate
CID 71669999

Frequently Asked Questions

What is the IUPAC name of [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea (CID 168533023) is [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea is COc1cccc(C=NNC(N)=O)c1OCCn1ccnc1.
What is the InChIKey of [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea?
The InChIKey is HYWGRUMNACFFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-12-4-2-3-11(9-17-18-14(15)20)13(12)22-8-7-19-6-5-16-10-19/h2-6,9-10H,7-8H2,1H3,(H3,15,18,20).
What are the key properties of [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea?
[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea has a molecular weight of 303.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168533023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).