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

C16H23N5 — CID 64856645

IUPAC2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cn(CCn2c(C3CCCC3)nc3c2CCNC3)cn1
InChIInChI=1S/C16H23N5/c1-2-4-13(3-1)16-19-14-11-17-6-5-15(14)21(16)10-9-20-8-7-18-12-20/h7-8,12-13,17H,1-6,9-11H2
InChIKeyMNBXZMNOTZRLOT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.08
Rot. Bonds4

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

2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856645) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856645
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cn(CCn2c(C3CCCC3)nc3c2CCNC3)cn1
InChIInChI=1S/C16H23N5/c1-2-4-13(3-1)16-19-14-11-17-6-5-15(14)21(16)10-9-20-8-7-18-12-20/h7-8,12-13,17H,1-6,9-11H2
InChIKeyMNBXZMNOTZRLOT-UHFFFAOYSA-N
XLogP2.08
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856645) is 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cn(CCn2c(C3CCCC3)nc3c2CCNC3)cn1.
What is the InChIKey of 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MNBXZMNOTZRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-4-13(3-1)16-19-14-11-17-6-5-15(14)21(16)10-9-20-8-7-18-12-20/h7-8,12-13,17H,1-6,9-11H2.
What are the key properties of 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 285.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).