N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide

C18H14FN5O2 — CID 126617797

IUPACN-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(OCCF)nc1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C18H14FN5O2/c19-8-10-26-16-6-5-12(11-20-16)21-17(25)14-7-9-24-15-4-2-1-3-13(15)22-18(24)23-14/h1-7,9,11H,8,10H2,(H,21,25)
InChIKeyQPSFSENHBDHMQT-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.88
Rot. Bonds5

About N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide

N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617797) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617797
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC NameN-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(OCCF)nc1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C18H14FN5O2/c19-8-10-26-16-6-5-12(11-20-16)21-17(25)14-7-9-24-15-4-2-1-3-13(15)22-18(24)23-14/h1-7,9,11H,8,10H2,(H,21,25)
InChIKeyQPSFSENHBDHMQT-UHFFFAOYSA-N
XLogP2.88
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617797) is N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccc(OCCF)nc1)c1ccn2c(n1)nc1ccccc12.
What is the InChIKey of N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is QPSFSENHBDHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-8-10-26-16-6-5-12(11-20-16)21-17(25)14-7-9-24-15-4-2-1-3-13(15)22-18(24)23-14/h1-7,9,11H,8,10H2,(H,21,25).
What are the key properties of N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).