N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine

C13H15ClFN3 — CID 60843269

IUPACN-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C13H15ClFN3/c1-8(2)16-7-13-17-6-12(18-13)9-3-4-11(15)10(14)5-9/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyLZAPFWDINVONCO-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.37
Rot. Bonds4

About N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine

N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine (PubChem CID 60843269) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
PubChem CID60843269
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C13H15ClFN3/c1-8(2)16-7-13-17-6-12(18-13)9-3-4-11(15)10(14)5-9/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyLZAPFWDINVONCO-UHFFFAOYSA-N
XLogP3.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine (CID 60843269) is N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(-c2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is LZAPFWDINVONCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8(2)16-7-13-17-6-12(18-13)9-3-4-11(15)10(14)5-9/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 267.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 60843269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).