3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

C13H15Cl2N3 — CID 24947144

IUPAC3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-9(2)18(7-10-6-16-8-17-10)11-3-4-12(14)13(15)5-11/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyQTQMKNGHALLZKU-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.13
Rot. Bonds4

About 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline (PubChem CID 24947144) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
PubChem CID24947144
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-9(2)18(7-10-6-16-8-17-10)11-3-4-12(14)13(15)5-11/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyQTQMKNGHALLZKU-UHFFFAOYSA-N
XLogP4.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The IUPAC name of 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline (CID 24947144) is 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The InChIKey is QTQMKNGHALLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9(2)18(7-10-6-16-8-17-10)11-3-4-12(14)13(15)5-11/h3-6,8-9H,7H2,1-2H3,(H,16,17).
What are the key properties of 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline has a molecular weight of 284.19 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 24947144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).