4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H18N6 — CID 56881276

IUPAC4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1ccnc1C1c2nc[nH]c2CCN1Cc1cccnc1
InChIInChI=1S/C16H18N6/c1-21-8-6-18-16(21)15-14-13(19-11-20-14)4-7-22(15)10-12-3-2-5-17-9-12/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,19,20)
InChIKeyCDOWICWQPUCYGJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.69
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56881276) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56881276
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1ccnc1C1c2nc[nH]c2CCN1Cc1cccnc1
InChIInChI=1S/C16H18N6/c1-21-8-6-18-16(21)15-14-13(19-11-20-14)4-7-22(15)10-12-3-2-5-17-9-12/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,19,20)
InChIKeyCDOWICWQPUCYGJ-UHFFFAOYSA-N
XLogP1.69
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56881276) is 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1ccnc1C1c2nc[nH]c2CCN1Cc1cccnc1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CDOWICWQPUCYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-21-8-6-18-16(21)15-14-13(19-11-20-14)4-7-22(15)10-12-3-2-5-17-9-12/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,19,20).
What are the key properties of 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 294.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56881276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).