6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C18H13N3S — CID 3818611

IUPAC6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESc1csc(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C18H13N3S/c1-2-7-13-12(6-1)17-20-14-8-3-4-9-15(14)21(17)18(19-13)16-10-5-11-22-16/h1-11,18-19H
InChIKeyXREICUDMBRWIFD-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.74
Rot. Bonds1

About 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 3818611) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID3818611
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESc1csc(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C18H13N3S/c1-2-7-13-12(6-1)17-20-14-8-3-4-9-15(14)21(17)18(19-13)16-10-5-11-22-16/h1-11,18-19H
InChIKeyXREICUDMBRWIFD-UHFFFAOYSA-N
XLogP4.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 3818611) is 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is c1csc(C2Nc3ccccc3-c3nc4ccccc4n32)c1.
What is the InChIKey of 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is XREICUDMBRWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-2-7-13-12(6-1)17-20-14-8-3-4-9-15(14)21(17)18(19-13)16-10-5-11-22-16/h1-11,18-19H.
What are the key properties of 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 303.39 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 3818611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).