5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid

C19H20Cl2N2O2 — CID 123430379

IUPAC5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-18-19(21)23(13-22(18)10-4-3-7-17(24)25)12-14-8-9-15-5-1-2-6-16(15)11-14/h1-2,5-6,8-9,11H,3-4,7,10,12-13H2,(H,24,25)
InChIKeyBLSWXAWVIKUYBT-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.77
Rot. Bonds7

About 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid

5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid (PubChem CID 123430379) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
PubChem CID123430379
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-18-19(21)23(13-22(18)10-4-3-7-17(24)25)12-14-8-9-15-5-1-2-6-16(15)11-14/h1-2,5-6,8-9,11H,3-4,7,10,12-13H2,(H,24,25)
InChIKeyBLSWXAWVIKUYBT-UHFFFAOYSA-N
XLogP4.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole
CID 123515469
4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole
CID 123999338
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
10-naphthalen-2-yldecanoic acid
CID 21478009
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide
CID 70982518
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 119235112
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid?
The IUPAC name of 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid (CID 123430379) is 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid is O=C(O)CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.
What is the InChIKey of 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid?
The InChIKey is BLSWXAWVIKUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-18-19(21)23(13-22(18)10-4-3-7-17(24)25)12-14-8-9-15-5-1-2-6-16(15)11-14/h1-2,5-6,8-9,11H,3-4,7,10,12-13H2,(H,24,25).
What are the key properties of 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid?
5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid has a molecular weight of 379.29 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid is sourced from PubChem (CID 123430379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).