2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine

C17H16ClN3 — CID 62878746

IUPAC2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C17H16ClN3/c18-15-9-5-4-8-13(15)16-11-20-17(21-16)14(10-19)12-6-2-1-3-7-12/h1-9,11,14H,10,19H2,(H,20,21)
InChIKeyVXIGWMFWDPRHRI-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.82
Rot. Bonds4

About 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine

2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine (PubChem CID 62878746) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
PubChem CID62878746
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C17H16ClN3/c18-15-9-5-4-8-13(15)16-11-20-17(21-16)14(10-19)12-6-2-1-3-7-12/h1-9,11,14H,10,19H2,(H,20,21)
InChIKeyVXIGWMFWDPRHRI-UHFFFAOYSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
The IUPAC name of 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine (CID 62878746) is 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine is NCC(c1ccccc1)c1ncc(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
The InChIKey is VXIGWMFWDPRHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-15-9-5-4-8-13(15)16-11-20-17(21-16)14(10-19)12-6-2-1-3-7-12/h1-9,11,14H,10,19H2,(H,20,21).
What are the key properties of 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine?
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine has a molecular weight of 297.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine is sourced from PubChem (CID 62878746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).