8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole

C19H16FN3O2 — CID 58362558

IUPAC8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole
SMILESCOc1ncccc1-c1ccn2c(c1)nc1ccc(OCCF)cc12
InChIInChI=1S/C19H16FN3O2/c1-24-19-15(3-2-8-21-19)13-6-9-23-17-12-14(25-10-7-20)4-5-16(17)22-18(23)11-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyDQFQYFOLLOTSOR-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.91
Rot. Bonds5

About 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole

8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole (PubChem CID 58362558) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole
PubChem CID58362558
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole
SMILESCOc1ncccc1-c1ccn2c(c1)nc1ccc(OCCF)cc12
InChIInChI=1S/C19H16FN3O2/c1-24-19-15(3-2-8-21-19)13-6-9-23-17-12-14(25-10-7-20)4-5-16(17)22-18(23)11-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyDQFQYFOLLOTSOR-UHFFFAOYSA-N
XLogP3.91
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole?
The IUPAC name of 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole (CID 58362558) is 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole?
The canonical SMILES for 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole is COc1ncccc1-c1ccn2c(c1)nc1ccc(OCCF)cc12.
What is the InChIKey of 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole?
The InChIKey is DQFQYFOLLOTSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-24-19-15(3-2-8-21-19)13-6-9-23-17-12-14(25-10-7-20)4-5-16(17)22-18(23)11-13/h2-6,8-9,11-12H,7,10H2,1H3.
What are the key properties of 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole?
8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole has a molecular weight of 337.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroethoxy)-3-(2-methoxy-3-pyridinyl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 58362558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).