10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

C17H17ClFN3 — CID 2899152

IUPAC10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.Fc1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H16FN3.ClH/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21;/h1-2,4-9H,3,10-12H2;1H
InChIKeyOJCAUOXKGOODQI-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.83
Rot. Bonds2

About 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2899152) has the molecular formula C17H17ClFN3 and a molecular weight of 317.80 g/mol. Its IUPAC name is 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2899152
Molecular FormulaC17H17ClFN3
Molecular Weight317.80 g/mol
Exact Mass317.11
IUPAC Name10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.Fc1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H16FN3.ClH/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21;/h1-2,4-9H,3,10-12H2;1H
InChIKeyOJCAUOXKGOODQI-UHFFFAOYSA-N
XLogP3.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2899152) is 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cl.Fc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is OJCAUOXKGOODQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3.ClH/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21;/h1-2,4-9H,3,10-12H2;1H.
What are the key properties of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 317.80 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2899152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).