2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C18H24N4 — CID 72919818

IUPAC2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(c1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCC1
InChIInChI=1S/C18H24N4/c1-13(22-10-2-3-11-22)14-4-6-15(7-5-14)18-20-16-8-9-19-12-17(16)21-18/h4-7,13,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyIBSVUKZETJHECW-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.88
Rot. Bonds3

About 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 72919818) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID72919818
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(c1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCC1
InChIInChI=1S/C18H24N4/c1-13(22-10-2-3-11-22)14-4-6-15(7-5-14)18-20-16-8-9-19-12-17(16)21-18/h4-7,13,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyIBSVUKZETJHECW-UHFFFAOYSA-N
XLogP2.88
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 72919818) is 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(c1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCC1.
What is the InChIKey of 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is IBSVUKZETJHECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13(22-10-2-3-11-22)14-4-6-15(7-5-14)18-20-16-8-9-19-12-17(16)21-18/h4-7,13,19H,2-3,8-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 296.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 72919818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).