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

C19H16N4O — CID 942459

IUPAC(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESO=C1CCCC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2
InChIInChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22)/t18-/m1/s1
InChIKeyXIJQQDHEMLDADR-GOSISDBHSA-N
MW316.36 g/mol
LogP3.45
Rot. Bonds1

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

(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 942459) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID942459
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESO=C1CCCC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2
InChIInChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22)/t18-/m1/s1
InChIKeyXIJQQDHEMLDADR-GOSISDBHSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(12S)-12-(4-methylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 946316
(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 40515858
12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3245477
12-(5-bromo-2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3623011
(12S)-12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 51459840
(12S)-12-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 7371315
(3S,12S)-3-(4-methoxyphenyl)-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 1259086
(3R,12S)-3-(4-chlorophenyl)-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 40983862
(3R,12R)-12-phenyl-3-(4-propan-2-ylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 41118005
3-(4-chlorophenyl)-12-(4-methylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 4885696
methyl 2-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4899870
methyl (4S)-2-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7342932

Frequently Asked Questions

What is the IUPAC name of (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 942459) is (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is O=C1CCCC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2.
What is the InChIKey of (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is XIJQQDHEMLDADR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22)/t18-/m1/s1.
What are the key properties of (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 316.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 942459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).