2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

C14H17Cl2N3 — CID 119126147

IUPAC2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCc1ncc[nH]1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-14(2,9-17-8-12-18-6-7-19-12)13-10(15)4-3-5-11(13)16/h3-7,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyNMOBYZWQBIAONJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.78
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 119126147) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID119126147
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCc1ncc[nH]1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-14(2,9-17-8-12-18-6-7-19-12)13-10(15)4-3-5-11(13)16/h3-7,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyNMOBYZWQBIAONJ-UHFFFAOYSA-N
XLogP3.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (CID 119126147) is 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is CC(C)(CNCc1ncc[nH]1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is NMOBYZWQBIAONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-14(2,9-17-8-12-18-6-7-19-12)13-10(15)4-3-5-11(13)16/h3-7,17H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 119126147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).