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

C15H17N3O — CID 53145210

IUPAC2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)8-15(19)18-7-6-13-14(9-18)17-10-16-13/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyVQGDRMSHROUAPV-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.85
Rot. Bonds2

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

2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 53145210) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID53145210
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)8-15(19)18-7-6-13-14(9-18)17-10-16-13/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyVQGDRMSHROUAPV-UHFFFAOYSA-N
XLogP1.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 110742005
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 110712801
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)ethanone
CID 112533024
(2R)-2-(4-methylphenyl)sulfanyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 97189345
2-(2-methylphenoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 110712810
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776
3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-2H-isoquinolin-1-one
CID 138054087
4-phenoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 72878834
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
2,2,4,4-tetramethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pentan-1-one
CID 143098139

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 53145210) is 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is Cc1ccc(CC(=O)N2CCc3nc[nH]c3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is VQGDRMSHROUAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)8-15(19)18-7-6-13-14(9-18)17-10-16-13/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 53145210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).