(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C18H13Cl2FN4O — CID 90408922

IUPAC(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1
InChIInChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2
InChIKeyDJIJTCUGJYMPTQ-UHFFFAOYSA-N
MW391.23 g/mol
LogP3.91
Rot. Bonds2

About (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90408922) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID90408922
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC Name(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1
InChIInChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2
InChIKeyDJIJTCUGJYMPTQ-UHFFFAOYSA-N
XLogP3.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 90408922) is (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is DJIJTCUGJYMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2.
What are the key properties of (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 391.23 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90408922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).