2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine

C20H22BrN3 — CID 10596163

IUPAC2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCC(c2ccccc2)c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C20H22BrN3/c21-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)10-11-20-23-14-18(24-20)12-13-22/h1-9,14,19H,10-13,22H2,(H,23,24)
InChIKeyYDUBNWZTTFIXEZ-UHFFFAOYSA-N
MW384.32 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine

2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 10596163) has the molecular formula C20H22BrN3 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine
PubChem CID10596163
Molecular FormulaC20H22BrN3
Molecular Weight384.32 g/mol
Exact Mass383.10
IUPAC Name2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCC(c2ccccc2)c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C20H22BrN3/c21-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)10-11-20-23-14-18(24-20)12-13-22/h1-9,14,19H,10-13,22H2,(H,23,24)
InChIKeyYDUBNWZTTFIXEZ-UHFFFAOYSA-N
XLogP4.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine (CID 10596163) is 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine is NCCc1cnc(CCC(c2ccccc2)c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is YDUBNWZTTFIXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3/c21-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)10-11-20-23-14-18(24-20)12-13-22/h1-9,14,19H,10-13,22H2,(H,23,24).
What are the key properties of 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 384.32 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-bromophenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10596163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).