3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline

C10H9Cl2N3 — CID 13178300

IUPAC3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline
SMILESClc1cc(Cl)cc(NCc2cnc[nH]2)c1
InChIInChI=1S/C10H9Cl2N3/c11-7-1-8(12)3-9(2-7)14-5-10-4-13-6-15-10/h1-4,6,14H,5H2,(H,13,15)
InChIKeyKPMYBCXVAKURBD-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.33
Rot. Bonds3

About 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline

3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 13178300) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID13178300
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline
SMILESClc1cc(Cl)cc(NCc2cnc[nH]2)c1
InChIInChI=1S/C10H9Cl2N3/c11-7-1-8(12)3-9(2-7)14-5-10-4-13-6-15-10/h1-4,6,14H,5H2,(H,13,15)
InChIKeyKPMYBCXVAKURBD-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline (CID 13178300) is 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline is Clc1cc(Cl)cc(NCc2cnc[nH]2)c1.
What is the InChIKey of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is KPMYBCXVAKURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-7-1-8(12)3-9(2-7)14-5-10-4-13-6-15-10/h1-4,6,14H,5H2,(H,13,15).
What are the key properties of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline?
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 242.11 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 13178300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).