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

C11H11Cl2N3 — CID 24948267

IUPAC3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2N3/c1-16(6-10-5-14-7-15-10)11-3-8(12)2-9(13)4-11/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyDGEQUIKCIMCVMV-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.35
Rot. Bonds3

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

3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (PubChem CID 24948267) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
PubChem CID24948267
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2N3/c1-16(6-10-5-14-7-15-10)11-3-8(12)2-9(13)4-11/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyDGEQUIKCIMCVMV-UHFFFAOYSA-N
XLogP3.35
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
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)-N-methylaniline?
The IUPAC name of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (CID 24948267) is 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.
What is the SMILES notation for 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The canonical SMILES for 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is CN(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The InChIKey is DGEQUIKCIMCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-16(6-10-5-14-7-15-10)11-3-8(12)2-9(13)4-11/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline has a molecular weight of 256.14 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 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)-N-methylaniline is sourced from PubChem (CID 24948267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).