2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H29N3 — CID 107420835

IUPAC2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCCC1Cn1c(C2CCCC2)nc2c1CCNC2
InChIInChI=1S/C18H29N3/c1-13-5-4-8-15(13)12-21-17-9-10-19-11-16(17)20-18(21)14-6-2-3-7-14/h13-15,19H,2-12H2,1H3
InChIKeySPJFVNIMULCOJW-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.62
Rot. Bonds3

About 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 107420835) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID107420835
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCCC1Cn1c(C2CCCC2)nc2c1CCNC2
InChIInChI=1S/C18H29N3/c1-13-5-4-8-15(13)12-21-17-9-10-19-11-16(17)20-18(21)14-6-2-3-7-14/h13-15,19H,2-12H2,1H3
InChIKeySPJFVNIMULCOJW-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 107420835) is 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CCCC1Cn1c(C2CCCC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is SPJFVNIMULCOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-5-4-8-15(13)12-21-17-9-10-19-11-16(17)20-18(21)14-6-2-3-7-14/h13-15,19H,2-12H2,1H3.
What are the key properties of 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 287.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 107420835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).