1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone

C16H18FN3O — CID 71687161

IUPAC1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone
SMILESCc1nc2c(n1C)CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H18FN3O/c1-11-18-14-7-8-20(10-15(14)19(11)2)16(21)9-12-3-5-13(17)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeySHHJPEJCNVEIOG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.00
Rot. Bonds2

About 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone

1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 71687161) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone
PubChem CID71687161
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone
SMILESCc1nc2c(n1C)CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H18FN3O/c1-11-18-14-7-8-20(10-15(14)19(11)2)16(21)9-12-3-5-13(17)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeySHHJPEJCNVEIOG-UHFFFAOYSA-N
XLogP2.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone (CID 71687161) is 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone is Cc1nc2c(n1C)CN(C(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is SHHJPEJCNVEIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-18-14-7-8-20(10-15(14)19(11)2)16(21)9-12-3-5-13(17)6-4-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone?
1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 287.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 71687161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).