1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H27N3O — CID 64857536

IUPAC1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOC1CCCC1n1c(CC(C)C)nc2c1CCNC2
InChIInChI=1S/C16H27N3O/c1-11(2)9-16-18-12-10-17-8-7-13(12)19(16)14-5-4-6-15(14)20-3/h11,14-15,17H,4-10H2,1-3H3
InChIKeyBFPVJCVUYXDJOH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857536) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857536
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOC1CCCC1n1c(CC(C)C)nc2c1CCNC2
InChIInChI=1S/C16H27N3O/c1-11(2)9-16-18-12-10-17-8-7-13(12)19(16)14-5-4-6-15(14)20-3/h11,14-15,17H,4-10H2,1-3H3
InChIKeyBFPVJCVUYXDJOH-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857536) is 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COC1CCCC1n1c(CC(C)C)nc2c1CCNC2.
What is the InChIKey of 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BFPVJCVUYXDJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)9-16-18-12-10-17-8-7-13(12)19(16)14-5-4-6-15(14)20-3/h11,14-15,17H,4-10H2,1-3H3.
What are the key properties of 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 277.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).