2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine

C22H17ClN4O — CID 134228721

IUPAC2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine
SMILESC=C(N=O)c1c(C)nc(-c2ccnc(Cl)c2)n1Cc1cccc2ccccc12
InChIInChI=1S/C22H17ClN4O/c1-14-21(15(2)26-28)27(22(25-14)17-10-11-24-20(23)12-17)13-18-8-5-7-16-6-3-4-9-19(16)18/h3-12H,2,13H2,1H3
InChIKeyBWPGXFFXMVSXGD-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.85
Rot. Bonds5

About 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine

2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine (PubChem CID 134228721) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine
PubChem CID134228721
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine
SMILESC=C(N=O)c1c(C)nc(-c2ccnc(Cl)c2)n1Cc1cccc2ccccc12
InChIInChI=1S/C22H17ClN4O/c1-14-21(15(2)26-28)27(22(25-14)17-10-11-24-20(23)12-17)13-18-8-5-7-16-6-3-4-9-19(16)18/h3-12H,2,13H2,1H3
InChIKeyBWPGXFFXMVSXGD-UHFFFAOYSA-N
XLogP5.85
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine?
The IUPAC name of 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine (CID 134228721) is 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine?
The canonical SMILES for 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine is C=C(N=O)c1c(C)nc(-c2ccnc(Cl)c2)n1Cc1cccc2ccccc12.
What is the InChIKey of 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine?
The InChIKey is BWPGXFFXMVSXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-14-21(15(2)26-28)27(22(25-14)17-10-11-24-20(23)12-17)13-18-8-5-7-16-6-3-4-9-19(16)18/h3-12H,2,13H2,1H3.
What are the key properties of 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine?
2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine has a molecular weight of 388.86 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-methyl-1-(naphthalen-1-ylmethyl)-5-(1-nitrosoethenyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 134228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).