3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C16H19N3O — CID 110712801

IUPAC3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H19N3O/c1-12-4-2-3-5-13(12)6-7-16(20)19-9-8-14-15(10-19)18-11-17-14/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyMRBZYGZYMQDKJC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.24
Rot. Bonds3

About 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 110712801) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID110712801
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H19N3O/c1-12-4-2-3-5-13(12)6-7-16(20)19-9-8-14-15(10-19)18-11-17-14/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyMRBZYGZYMQDKJC-UHFFFAOYSA-N
XLogP2.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 110712801) is 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is Cc1ccccc1CCC(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is MRBZYGZYMQDKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-2-3-5-13(12)6-7-16(20)19-9-8-14-15(10-19)18-11-17-14/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 110712801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).