4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline

C13H16ClN3O — CID 24948465

IUPAC4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H16ClN3O/c1-3-17(8-10-7-15-9-16-10)11-4-5-12(14)13(6-11)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyQUKQCCPLNCXAGW-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.10
Rot. Bonds5

About 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline

4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline (PubChem CID 24948465) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
PubChem CID24948465
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H16ClN3O/c1-3-17(8-10-7-15-9-16-10)11-4-5-12(14)13(6-11)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyQUKQCCPLNCXAGW-UHFFFAOYSA-N
XLogP3.10
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
The IUPAC name of 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline (CID 24948465) is 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline is CCN(Cc1cnc[nH]1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
The InChIKey is QUKQCCPLNCXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-17(8-10-7-15-9-16-10)11-4-5-12(14)13(6-11)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline has a molecular weight of 265.74 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline is sourced from PubChem (CID 24948465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).