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

C13H19N5 — CID 50979283

IUPAC4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCc1ncc(C2NCCc3[nH]cnc32)[nH]1
InChIInChI=1S/C13H19N5/c1-2-3-4-11-15-7-10(18-11)13-12-9(5-6-14-13)16-8-17-12/h7-8,13-14H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyAYUSTCGBTHFGSJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.71
Rot. Bonds4

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

4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 50979283) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID50979283
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCc1ncc(C2NCCc3[nH]cnc32)[nH]1
InChIInChI=1S/C13H19N5/c1-2-3-4-11-15-7-10(18-11)13-12-9(5-6-14-13)16-8-17-12/h7-8,13-14H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyAYUSTCGBTHFGSJ-UHFFFAOYSA-N
XLogP1.71
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 50979283) is 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCCCc1ncc(C2NCCc3[nH]cnc32)[nH]1.
What is the InChIKey of 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is AYUSTCGBTHFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-3-4-11-15-7-10(18-11)13-12-9(5-6-14-13)16-8-17-12/h7-8,13-14H,2-6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 245.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 50979283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).