2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine

C17H25N3 — CID 130216918

IUPAC2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
SMILESCCCC1C=c2nc(C(C=C(C)C)=C(C)C)[nH]c2=CN1
InChIInChI=1S/C17H25N3/c1-6-7-13-9-15-16(10-18-13)20-17(19-15)14(12(4)5)8-11(2)3/h8-10,13,18H,6-7H2,1-5H3,(H,19,20)
InChIKeyYAHCEXOMIDOCRI-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.46
Rot. Bonds4

About 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine

2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine (PubChem CID 130216918) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
PubChem CID130216918
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
SMILESCCCC1C=c2nc(C(C=C(C)C)=C(C)C)[nH]c2=CN1
InChIInChI=1S/C17H25N3/c1-6-7-13-9-15-16(10-18-13)20-17(19-15)14(12(4)5)8-11(2)3/h8-10,13,18H,6-7H2,1-5H3,(H,19,20)
InChIKeyYAHCEXOMIDOCRI-UHFFFAOYSA-N
XLogP2.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine (CID 130216918) is 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine is CCCC1C=c2nc(C(C=C(C)C)=C(C)C)[nH]c2=CN1.
What is the InChIKey of 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is YAHCEXOMIDOCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-7-13-9-15-16(10-18-13)20-17(19-15)14(12(4)5)8-11(2)3/h8-10,13,18H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine?
2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 271.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 130216918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).