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

C18H17ClF3N3 — CID 90485798

IUPAC10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C18H16F3N3.ClH/c19-18(20,21)14-8-6-13(7-9-14)12-24-16-5-2-1-4-15(16)23-11-3-10-22-17(23)24;/h1-2,4-9H,3,10-12H2;1H
InChIKeyUJWQRIZILFUKGY-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.71
Rot. Bonds2

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

10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 90485798) has the molecular formula C18H17ClF3N3 and a molecular weight of 367.80 g/mol. Its IUPAC name is 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID90485798
Molecular FormulaC18H17ClF3N3
Molecular Weight367.80 g/mol
Exact Mass367.11
IUPAC Name10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C18H16F3N3.ClH/c19-18(20,21)14-8-6-13(7-9-14)12-24-16-5-2-1-4-15(16)23-11-3-10-22-17(23)24;/h1-2,4-9H,3,10-12H2;1H
InChIKeyUJWQRIZILFUKGY-UHFFFAOYSA-N
XLogP4.71
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride with MolForge

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Related Compounds

10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 653244
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
CID 53313935
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 155569158
4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 126476392
10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 711733
10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 6603340
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide
CID 126476477
4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
CID 155555618
4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
CID 648020
10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 2870518
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 2852818
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105

Frequently Asked Questions

What is the IUPAC name of 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 90485798) is 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cl.FC(F)(F)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is UJWQRIZILFUKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3.ClH/c19-18(20,21)14-8-6-13(7-9-14)12-24-16-5-2-1-4-15(16)23-11-3-10-22-17(23)24;/h1-2,4-9H,3,10-12H2;1H.
What are the key properties of 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 367.80 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 90485798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).