2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole

C23H16N4O2S — CID 11058721

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole
SMILESCOc1ccc(OC)c2sc(-c3nc4ccccc4c4nc5ccccc5n34)nc12
InChIInChI=1S/C23H16N4O2S/c1-28-17-11-12-18(29-2)20-19(17)26-23(30-20)22-24-14-8-4-3-7-13(14)21-25-15-9-5-6-10-16(15)27(21)22/h3-12H,1-2H3
InChIKeyQKIJEUZPNZUYHD-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.33
Rot. Bonds3

About 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole

2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole (PubChem CID 11058721) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole
PubChem CID11058721
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole
SMILESCOc1ccc(OC)c2sc(-c3nc4ccccc4c4nc5ccccc5n34)nc12
InChIInChI=1S/C23H16N4O2S/c1-28-17-11-12-18(29-2)20-19(17)26-23(30-20)22-24-14-8-4-3-7-13(14)21-25-15-9-5-6-10-16(15)27(21)22/h3-12H,1-2H3
InChIKeyQKIJEUZPNZUYHD-UHFFFAOYSA-N
XLogP5.33
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-(2-phenoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 70651031
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70651726
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile
CID 122230302
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70651023
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
11-(3,4,5-trimethoxyphenyl)-14-thia-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4908771
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole (CID 11058721) is 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole is COc1ccc(OC)c2sc(-c3nc4ccccc4c4nc5ccccc5n34)nc12.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole?
The InChIKey is QKIJEUZPNZUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c1-28-17-11-12-18(29-2)20-19(17)26-23(30-20)22-24-14-8-4-3-7-13(14)21-25-15-9-5-6-10-16(15)27(21)22/h3-12H,1-2H3.
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole?
2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole has a molecular weight of 412.47 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole is sourced from PubChem (CID 11058721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).