6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline

C20H16N4 — CID 664613

IUPAC6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline
SMILESCC1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H16N4/c1-20(14-10-12-21-13-11-14)23-16-7-3-2-6-15(16)19-22-17-8-4-5-9-18(17)24(19)20/h2-13,23H,1H3
InChIKeyZRZMLKAZUBVMMI-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.24
Rot. Bonds1

About 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline

6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline (PubChem CID 664613) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline
PubChem CID664613
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline
SMILESCC1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H16N4/c1-20(14-10-12-21-13-11-14)23-16-7-3-2-6-15(16)19-22-17-8-4-5-9-18(17)24(19)20/h2-13,23H,1H3
InChIKeyZRZMLKAZUBVMMI-UHFFFAOYSA-N
XLogP4.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline (CID 664613) is 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline is CC1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is ZRZMLKAZUBVMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-20(14-10-12-21-13-11-14)23-16-7-3-2-6-15(16)19-22-17-8-4-5-9-18(17)24(19)20/h2-13,23H,1H3.
What are the key properties of 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline?
6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 312.38 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-pyridin-4-yl-5H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 664613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).