(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C16H17ClFN3O — CID 110867100

IUPAC(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)n1cnc2c1CN(C(=O)c1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H17ClFN3O/c1-10(2)21-9-19-13-6-7-20(8-14(13)21)16(22)15-11(17)4-3-5-12(15)18/h3-5,9-10H,6-8H2,1-2H3
InChIKeyJOCLVLHYEJAMTJ-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.45
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 110867100) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID110867100
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)n1cnc2c1CN(C(=O)c1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H17ClFN3O/c1-10(2)21-9-19-13-6-7-20(8-14(13)21)16(22)15-11(17)4-3-5-12(15)18/h3-5,9-10H,6-8H2,1-2H3
InChIKeyJOCLVLHYEJAMTJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872759
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258
cyclopropyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872742
2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110872772
(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147086
(2-chloro-6-fluorophenyl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 84597542
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872795
5-(2-chlorophenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872833
(2-chloro-6-fluorophenyl)-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methanone
CID 146039608
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
(2-chloro-6-fluorophenyl)-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421733

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 110867100) is (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is CC(C)n1cnc2c1CN(C(=O)c1c(F)cccc1Cl)CC2.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JOCLVLHYEJAMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c1-10(2)21-9-19-13-6-7-20(8-14(13)21)16(22)15-11(17)4-3-5-12(15)18/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 321.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 110867100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).