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

C18H19N3 — CID 43651628

IUPAC2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine
SMILESCc1ccccc1-c1cnc(CC(N)c2ccccc2)[nH]1
InChIInChI=1S/C18H19N3/c1-13-7-5-6-10-15(13)17-12-20-18(21-17)11-16(19)14-8-3-2-4-9-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)
InChIKeySHZMGQQHWOEELZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.63
Rot. Bonds4

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

2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine (PubChem CID 43651628) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine
PubChem CID43651628
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine
SMILESCc1ccccc1-c1cnc(CC(N)c2ccccc2)[nH]1
InChIInChI=1S/C18H19N3/c1-13-7-5-6-10-15(13)17-12-20-18(21-17)11-16(19)14-8-3-2-4-9-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)
InChIKeySHZMGQQHWOEELZ-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine?
The IUPAC name of 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine (CID 43651628) is 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine?
The canonical SMILES for 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine is Cc1ccccc1-c1cnc(CC(N)c2ccccc2)[nH]1.
What is the InChIKey of 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine?
The InChIKey is SHZMGQQHWOEELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-7-5-6-10-15(13)17-12-20-18(21-17)11-16(19)14-8-3-2-4-9-14/h2-10,12,16H,11,19H2,1H3,(H,20,21).
What are the key properties of 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine?
2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine is sourced from PubChem (CID 43651628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).