5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C13H16ClN5 — CID 155282167

IUPAC5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c1CN(c1ccnc(Cl)n1)CC2
InChIInChI=1S/C13H16ClN5/c1-9(2)19-8-16-10-4-6-18(7-11(10)19)12-3-5-15-13(14)17-12/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyNJGUFFHLIUCMGG-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.47
Rot. Bonds2

About 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 155282167) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID155282167
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c1CN(c1ccnc(Cl)n1)CC2
InChIInChI=1S/C13H16ClN5/c1-9(2)19-8-16-10-4-6-18(7-11(10)19)12-3-5-15-13(14)17-12/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyNJGUFFHLIUCMGG-UHFFFAOYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 155282167) is 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)n1cnc2c1CN(c1ccnc(Cl)n1)CC2.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is NJGUFFHLIUCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-9(2)19-8-16-10-4-6-18(7-11(10)19)12-3-5-15-13(14)17-12/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 277.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 155282167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).