(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

C20H16FN3O — CID 40515858

IUPAC(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESO=C1CCCC2=C1[C@H](c1ccccc1F)n1c(nc3ccccc31)N2
InChIInChI=1S/C20H16FN3O/c21-13-7-2-1-6-12(13)19-18-15(9-5-11-17(18)25)23-20-22-14-8-3-4-10-16(14)24(19)20/h1-4,6-8,10,19H,5,9,11H2,(H,22,23)/t19-/m0/s1
InChIKeyJJOKZMNQLNABTM-IBGZPJMESA-N
MW333.37 g/mol
LogP4.20
Rot. Bonds1

About (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 40515858) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID40515858
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESO=C1CCCC2=C1[C@H](c1ccccc1F)n1c(nc3ccccc31)N2
InChIInChI=1S/C20H16FN3O/c21-13-7-2-1-6-12(13)19-18-15(9-5-11-17(18)25)23-20-22-14-8-3-4-10-16(14)24(19)20/h1-4,6-8,10,19H,5,9,11H2,(H,22,23)/t19-/m0/s1
InChIKeyJJOKZMNQLNABTM-IBGZPJMESA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one with MolForge

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Related Compounds

(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 942459
12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3245477
(12S)-12-(4-methylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 946316
12-(5-bromo-2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3623011
9-(2-fluorophenyl)-2-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135670421
9-(2-fluorophenyl)-2-pyridin-4-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135838874
2-(2-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135610253
(9S)-2-ethylsulfanyl-9-(2-fluorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135611543
9-(2-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4886093
propan-2-yl (4S)-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7339150
(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136683267
2-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4296144

Frequently Asked Questions

What is the IUPAC name of (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 40515858) is (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is O=C1CCCC2=C1[C@H](c1ccccc1F)n1c(nc3ccccc31)N2.
What is the InChIKey of (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is JJOKZMNQLNABTM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16FN3O/c21-13-7-2-1-6-12(13)19-18-15(9-5-11-17(18)25)23-20-22-14-8-3-4-10-16(14)24(19)20/h1-4,6-8,10,19H,5,9,11H2,(H,22,23)/t19-/m0/s1.
What are the key properties of (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 333.37 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 40515858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).