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

C19H33N3 — CID 45272906

IUPAC2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCCCCN1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C19H33N3/c1-5-6-7-11-21-12-10-17-16(14-21)20-18(19(2,3)4)22(17)13-15-8-9-15/h15H,5-14H2,1-4H3
InChIKeyDTQNPORUQDMPPM-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.14
Rot. Bonds6

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

2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45272906) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45272906
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCCCCN1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C19H33N3/c1-5-6-7-11-21-12-10-17-16(14-21)20-18(19(2,3)4)22(17)13-15-8-9-15/h15H,5-14H2,1-4H3
InChIKeyDTQNPORUQDMPPM-UHFFFAOYSA-N
XLogP4.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.14
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 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45272906) is 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCCCCN1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is DTQNPORUQDMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-5-6-7-11-21-12-10-17-16(14-21)20-18(19(2,3)4)22(17)13-15-8-9-15/h15H,5-14H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 303.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45272906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).