(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C18H22FN3O — CID 99122898

IUPAC(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)ccc1F
InChIInChI=1S/C18H22FN3O/c1-11(2)17-20-15-10-22(8-7-16(15)21(17)4)18(23)13-5-6-14(19)12(3)9-13/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyATCDDVLPVFUFCN-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.19
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 99122898) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID99122898
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)ccc1F
InChIInChI=1S/C18H22FN3O/c1-11(2)17-20-15-10-22(8-7-16(15)21(17)4)18(23)13-5-6-14(19)12(3)9-13/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyATCDDVLPVFUFCN-UHFFFAOYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 99122898) is (4-fluoro-3-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 (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is Cc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is ATCDDVLPVFUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11(2)17-20-15-10-22(8-7-16(15)21(17)4)18(23)13-5-6-14(19)12(3)9-13/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 315.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 99122898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).