4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C14H19N3S — CID 50964685

IUPAC4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)Cc1ccc(C2NCCc3[nH]cnc32)s1
InChIInChI=1S/C14H19N3S/c1-9(2)7-10-3-4-12(18-10)14-13-11(5-6-15-14)16-8-17-13/h3-4,8-9,14-15H,5-7H2,1-2H3,(H,16,17)
InChIKeyWAWYSGKDKRSHBB-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.90
Rot. Bonds3

About 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 50964685) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID50964685
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)Cc1ccc(C2NCCc3[nH]cnc32)s1
InChIInChI=1S/C14H19N3S/c1-9(2)7-10-3-4-12(18-10)14-13-11(5-6-15-14)16-8-17-13/h3-4,8-9,14-15H,5-7H2,1-2H3,(H,16,17)
InChIKeyWAWYSGKDKRSHBB-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 50964685) is 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CC(C)Cc1ccc(C2NCCc3[nH]cnc32)s1.
What is the InChIKey of 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is WAWYSGKDKRSHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)7-10-3-4-12(18-10)14-13-11(5-6-15-14)16-8-17-13/h3-4,8-9,14-15H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 261.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylpropyl)thiophen-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 50964685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).