1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H35N3 — CID 45267778

IUPAC1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCCCCN1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C20H35N3/c1-5-6-7-11-22-12-10-18-17(15-22)21-19(13-20(2,3)4)23(18)14-16-8-9-16/h16H,5-15H2,1-4H3
InChIKeyCLZIVSVDBVEUFG-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.43
Rot. Bonds7

About 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45267778) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45267778
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCCCCN1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C20H35N3/c1-5-6-7-11-22-12-10-18-17(15-22)21-19(13-20(2,3)4)23(18)14-16-8-9-16/h16H,5-15H2,1-4H3
InChIKeyCLZIVSVDBVEUFG-UHFFFAOYSA-N
XLogP4.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45267778) is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCCCCN1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is CLZIVSVDBVEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-5-6-7-11-22-12-10-18-17(15-22)21-19(13-20(2,3)4)23(18)14-16-8-9-16/h16H,5-15H2,1-4H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 317.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45267778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).