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

C17H16FN3 — CID 883012

IUPAC10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESFc1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H16FN3/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
InChIKeyLXOFDRFYSDHQTI-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.41
Rot. Bonds2

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

10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 883012) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID883012
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESFc1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H16FN3/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
InChIKeyLXOFDRFYSDHQTI-UHFFFAOYSA-N
XLogP3.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
10-prop-2-enyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
CID 16192900
9-(4-fluorobenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 16681777
9-butyl-2-phenyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 23723094
10-(3-Methylbenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 24761604
9-benzyl-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
CID 752578
1,3-Bis-(2-fluoro-benzyl)-1,3-dihydro-benzoimidazol-2-one
CID 1077054
10-(2-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2881279
10-(4-Bromobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
CID 2881840
1,3-Bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
CID 53376043

Frequently Asked Questions

What is the IUPAC name of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The IUPAC name of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 883012) is 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is Fc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is LXOFDRFYSDHQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/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.
What are the key properties of 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 281.33 g/mol, XLogP of 3.41, 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 is sourced from PubChem (CID 883012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).