2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride

C20H21ClN2O — CID 3057019

IUPAC2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride
SMILESCC(C(=O)c1ccc(CCc2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16H,7-8H2,1H3;1H
InChIKeyDRDAGYMPOGDNDJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.53
Rot. Bonds6

About 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride

2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride (PubChem CID 3057019) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride
PubChem CID3057019
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride
SMILESCC(C(=O)c1ccc(CCc2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16H,7-8H2,1H3;1H
InChIKeyDRDAGYMPOGDNDJ-UHFFFAOYSA-N
XLogP4.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride (CID 3057019) is 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride is CC(C(=O)c1ccc(CCc2ccccc2)cc1)n1ccnc1.Cl.
What is the InChIKey of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride?
The InChIKey is DRDAGYMPOGDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16H,7-8H2,1H3;1H.
What are the key properties of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride?
2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 3057019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).