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

C20H18N4O — CID 3160580

IUPAC3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1cccnc1
InChIInChI=1S/C20H18N4O/c1-12-9-15-18(17(25)10-12)19(13-5-4-8-21-11-13)24-16-7-3-2-6-14(16)22-20(24)23-15/h2-8,11-12,19H,9-10H2,1H3,(H,22,23)
InChIKeyKMBGWGWUZNJAPT-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.70
Rot. Bonds1

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

3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 3160580) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID3160580
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1cccnc1
InChIInChI=1S/C20H18N4O/c1-12-9-15-18(17(25)10-12)19(13-5-4-8-21-11-13)24-16-7-3-2-6-14(16)22-20(24)23-15/h2-8,11-12,19H,9-10H2,1H3,(H,22,23)
InChIKeyKMBGWGWUZNJAPT-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 3160580) is 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is CC1CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1cccnc1.
What is the InChIKey of 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is KMBGWGWUZNJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-9-15-18(17(25)10-12)19(13-5-4-8-21-11-13)24-16-7-3-2-6-14(16)22-20(24)23-15/h2-8,11-12,19H,9-10H2,1H3,(H,22,23).
What are the key properties of 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 330.39 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 3160580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).