2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine

C23H25N3 — CID 142247031

IUPAC2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCCC(C)c1nc2ncc(-c3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C23H25N3/c1-3-4-5-9-16(2)22-25-21-14-18(15-24-23(21)26-22)20-13-8-11-17-10-6-7-12-19(17)20/h6-8,10-16H,3-5,9H2,1-2H3,(H,24,25,26)
InChIKeyQIZRFDFPODGRLQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.46
Rot. Bonds6

About 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine

2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 142247031) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
PubChem CID142247031
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCCC(C)c1nc2ncc(-c3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C23H25N3/c1-3-4-5-9-16(2)22-25-21-14-18(15-24-23(21)26-22)20-13-8-11-17-10-6-7-12-19(17)20/h6-8,10-16H,3-5,9H2,1-2H3,(H,24,25,26)
InChIKeyQIZRFDFPODGRLQ-UHFFFAOYSA-N
XLogP6.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 23026115
2-(3-chlorophenyl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 23025637
4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline
CID 143661155
5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine
CID 114246579
2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole
CID 91357795
1-dodecan-2-yl-2H-isoindole
CID 173177351
1-decan-2-yl-2H-isoindole
CID 173176942
1-undecan-2-yl-2H-isoindole
CID 173176533
1-(2-methylhexadecyl)naphthalene
CID 139758361
1-undecan-2-yl-9H-carbazole
CID 173176720
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313

Frequently Asked Questions

What is the IUPAC name of 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine (CID 142247031) is 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine is CCCCCC(C)c1nc2ncc(-c3cccc4ccccc34)cc2[nH]1.
What is the InChIKey of 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is QIZRFDFPODGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-3-4-5-9-16(2)22-25-21-14-18(15-24-23(21)26-22)20-13-8-11-17-10-6-7-12-19(17)20/h6-8,10-16H,3-5,9H2,1-2H3,(H,24,25,26).
What are the key properties of 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 343.47 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 142247031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).