6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C19H15N3O — CID 2997938

IUPAC6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCc1ccc(C2Nc3ccccc3-c3nc4ccccc4n32)o1
InChIInChI=1S/C19H15N3O/c1-12-10-11-17(23-12)19-20-14-7-3-2-6-13(14)18-21-15-8-4-5-9-16(15)22(18)19/h2-11,19-20H,1H3
InChIKeyIYEJXJXJJNGZQY-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.58
Rot. Bonds1

About 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 2997938) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID2997938
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCc1ccc(C2Nc3ccccc3-c3nc4ccccc4n32)o1
InChIInChI=1S/C19H15N3O/c1-12-10-11-17(23-12)19-20-14-7-3-2-6-13(14)18-21-15-8-4-5-9-16(15)22(18)19/h2-11,19-20H,1H3
InChIKeyIYEJXJXJJNGZQY-UHFFFAOYSA-N
XLogP4.58
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 2997938) is 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is Cc1ccc(C2Nc3ccccc3-c3nc4ccccc4n32)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is IYEJXJXJJNGZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-12-10-11-17(23-12)19-20-14-7-3-2-6-13(14)18-21-15-8-4-5-9-16(15)22(18)19/h2-11,19-20H,1H3.
What are the key properties of 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 301.35 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 2997938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).