N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline

C19H17FN4 — CID 53340869

IUPACN-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
SMILESFCCCNc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1
InChIInChI=1S/C19H17FN4/c20-11-3-12-21-15-8-6-14(7-9-15)16-10-13-24-18-5-2-1-4-17(18)23-19(24)22-16/h1-2,4-10,13,21H,3,11-12H2
InChIKeyXDPBPTWKZRRSPO-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.32
Rot. Bonds5

About N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline

N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline (PubChem CID 53340869) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
PubChem CID53340869
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC NameN-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
SMILESFCCCNc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1
InChIInChI=1S/C19H17FN4/c20-11-3-12-21-15-8-6-14(7-9-15)16-10-13-24-18-5-2-1-4-17(18)23-19(24)22-16/h1-2,4-10,13,21H,3,11-12H2
InChIKeyXDPBPTWKZRRSPO-UHFFFAOYSA-N
XLogP4.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline?
The IUPAC name of N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline (CID 53340869) is N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline.
What is the SMILES notation for N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline?
The canonical SMILES for N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline is FCCCNc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1.
What is the InChIKey of N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline?
The InChIKey is XDPBPTWKZRRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c20-11-3-12-21-15-8-6-14(7-9-15)16-10-13-24-18-5-2-1-4-17(18)23-19(24)22-16/h1-2,4-10,13,21H,3,11-12H2.
What are the key properties of N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline?
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline has a molecular weight of 320.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline is sourced from PubChem (CID 53340869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).