5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline

C23H21N3O — CID 3896027

IUPAC5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline
SMILESCCN1c2ccccc2-c2nc3ccccc3n2C1c1ccc(OC)cc1
InChIInChI=1S/C23H21N3O/c1-3-25-20-10-6-4-8-18(20)22-24-19-9-5-7-11-21(19)26(22)23(25)16-12-14-17(27-2)15-13-16/h4-15,23H,3H2,1-2H3
InChIKeyUAWLKDYVFYUOBJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.10
Rot. Bonds3

About 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline

5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 3896027) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID3896027
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline
SMILESCCN1c2ccccc2-c2nc3ccccc3n2C1c1ccc(OC)cc1
InChIInChI=1S/C23H21N3O/c1-3-25-20-10-6-4-8-18(20)22-24-19-9-5-7-11-21(19)26(22)23(25)16-12-14-17(27-2)15-13-16/h4-15,23H,3H2,1-2H3
InChIKeyUAWLKDYVFYUOBJ-UHFFFAOYSA-N
XLogP5.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline (CID 3896027) is 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline is CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is UAWLKDYVFYUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-25-20-10-6-4-8-18(20)22-24-19-9-5-7-11-21(19)26(22)23(25)16-12-14-17(27-2)15-13-16/h4-15,23H,3H2,1-2H3.
What are the key properties of 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline?
5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 355.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methoxyphenyl)-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 3896027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).