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

C20H16N4 — CID 661906

IUPAC5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESCN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1
InChIInChI=1S/C20H16N4/c1-23-17-8-4-2-6-15(17)19-22-16-7-3-5-9-18(16)24(19)20(23)14-10-12-21-13-11-14/h2-13,20H,1H3
InChIKeyHHDYYTVALIONSZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.09
Rot. Bonds1

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

5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 661906) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID661906
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESCN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1
InChIInChI=1S/C20H16N4/c1-23-17-8-4-2-6-15(17)19-22-16-7-3-5-9-18(16)24(19)20(23)14-10-12-21-13-11-14/h2-13,20H,1H3
InChIKeyHHDYYTVALIONSZ-UHFFFAOYSA-N
XLogP4.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline (CID 661906) is 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline is CN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1.
What is the InChIKey of 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is HHDYYTVALIONSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-23-17-8-4-2-6-15(17)19-22-16-7-3-5-9-18(16)24(19)20(23)14-10-12-21-13-11-14/h2-13,20H,1H3.
What are the key properties of 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline?
5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 312.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 661906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).