(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C18H21F2N3O — CID 119042361

IUPAC(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(F)c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1F
InChIInChI=1S/C18H21F2N3O/c1-10(2)17-21-15-9-23(6-5-16(15)22(17)4)18(24)12-8-13(19)11(3)7-14(12)20/h7-8,10H,5-6,9H2,1-4H3
InChIKeyNZWPFJKGNUGOAC-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.33
Rot. Bonds2

About (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 119042361) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID119042361
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(F)c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1F
InChIInChI=1S/C18H21F2N3O/c1-10(2)17-21-15-9-23(6-5-16(15)22(17)4)18(24)12-8-13(19)11(3)7-14(12)20/h7-8,10H,5-6,9H2,1-4H3
InChIKeyNZWPFJKGNUGOAC-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 99122898
(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone
CID 119041736
(2,6-dimethyl-3-pyridinyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119041735
(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119043431
[2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133320152
1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 126778339
3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 126787824
1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
CID 112548248
N-(2-cyclobutyl-2-methylpropyl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 128687846
5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 86895699
(2,5-difluoro-4-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124695014
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431

Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 119042361) is (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is Cc1cc(F)c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1F.
What is the InChIKey of (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is NZWPFJKGNUGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-10(2)17-21-15-9-23(6-5-16(15)22(17)4)18(24)12-8-13(19)11(3)7-14(12)20/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 333.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 119042361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).