1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H23N3 — CID 64858976

IUPAC1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCC(C)n1c(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H23N3/c1-3-7-13(2)20-16-10-11-18-12-15(16)19-17(20)14-8-5-4-6-9-14/h4-6,8-9,13,18H,3,7,10-12H2,1-2H3
InChIKeyMYMDYTFUIQWSAZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.56
Rot. Bonds4

About 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858976) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858976
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCC(C)n1c(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H23N3/c1-3-7-13(2)20-16-10-11-18-12-15(16)19-17(20)14-8-5-4-6-9-14/h4-6,8-9,13,18H,3,7,10-12H2,1-2H3
InChIKeyMYMDYTFUIQWSAZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858976) is 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCC(C)n1c(-c2ccccc2)nc2c1CCNC2.
What is the InChIKey of 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MYMDYTFUIQWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-7-13(2)20-16-10-11-18-12-15(16)19-17(20)14-8-5-4-6-9-14/h4-6,8-9,13,18H,3,7,10-12H2,1-2H3.
What are the key properties of 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 269.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).