(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C14H13F2N3O — CID 71836376

IUPAC(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1cnc2c1CN(C(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C14H13F2N3O/c1-18-8-17-12-4-5-19(7-13(12)18)14(20)9-2-3-10(15)11(16)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyNBZGSVFKVMROEN-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.90
Rot. Bonds1

About (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 71836376) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID71836376
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1cnc2c1CN(C(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C14H13F2N3O/c1-18-8-17-12-4-5-19(7-13(12)18)14(20)9-2-3-10(15)11(16)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyNBZGSVFKVMROEN-UHFFFAOYSA-N
XLogP1.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110476783
(4-methoxyphenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872625
(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71687155
cyclopropyl-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872601
(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 87050084
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(3,4-difluorophenyl)methanone
CID 108743531
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)ethanone
CID 112533024
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
CID 83275772
(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 63188563
(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536266
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536176

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 71836376) is (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is Cn1cnc2c1CN(C(=O)c1ccc(F)c(F)c1)CC2.
What is the InChIKey of (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is NBZGSVFKVMROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-18-8-17-12-4-5-19(7-13(12)18)14(20)9-2-3-10(15)11(16)6-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 277.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 71836376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).