2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine

C22H20ClN3 — CID 21146658

IUPAC2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine
SMILESNC(c1cccc2ccccc12)C(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3/c23-18-10-8-17(9-11-18)21(14-26-13-12-25-15-26)22(24)20-7-3-5-16-4-1-2-6-19(16)20/h1-13,15,21-22H,14,24H2
InChIKeyKORKCHUGLAXDGF-UHFFFAOYSA-N
MW361.88 g/mol
LogP5.17
Rot. Bonds5

About 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine

2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine (PubChem CID 21146658) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine
PubChem CID21146658
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC Name2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine
SMILESNC(c1cccc2ccccc12)C(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3/c23-18-10-8-17(9-11-18)21(14-26-13-12-25-15-26)22(24)20-7-3-5-16-4-1-2-6-19(16)20/h1-13,15,21-22H,14,24H2
InChIKeyKORKCHUGLAXDGF-UHFFFAOYSA-N
XLogP5.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine (CID 21146658) is 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine is NC(c1cccc2ccccc12)C(Cn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine?
The InChIKey is KORKCHUGLAXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3/c23-18-10-8-17(9-11-18)21(14-26-13-12-25-15-26)22(24)20-7-3-5-16-4-1-2-6-19(16)20/h1-13,15,21-22H,14,24H2.
What are the key properties of 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine?
2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine has a molecular weight of 361.88 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 21146658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).