4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline

C22H15Cl2N5O — CID 71180055

IUPAC4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline
SMILESCCOc1ccc2nc(-c3cccnc3)nc(-n3cnc4cc(Cl)c(Cl)cc43)c2c1
InChIInChI=1S/C22H15Cl2N5O/c1-2-30-14-5-6-18-15(8-14)22(28-21(27-18)13-4-3-7-25-11-13)29-12-26-19-9-16(23)17(24)10-20(19)29/h3-12H,2H2,1H3
InChIKeyFTRUUIALMOMCLM-UHFFFAOYSA-N
MW436.30 g/mol
LogP5.74
Rot. Bonds4

About 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline

4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline (PubChem CID 71180055) has the molecular formula C22H15Cl2N5O and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline
PubChem CID71180055
Molecular FormulaC22H15Cl2N5O
Molecular Weight436.30 g/mol
Exact Mass435.07
IUPAC Name4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline
SMILESCCOc1ccc2nc(-c3cccnc3)nc(-n3cnc4cc(Cl)c(Cl)cc43)c2c1
InChIInChI=1S/C22H15Cl2N5O/c1-2-30-14-5-6-18-15(8-14)22(28-21(27-18)13-4-3-7-25-11-13)29-12-26-19-9-16(23)17(24)10-20(19)29/h3-12H,2H2,1H3
InChIKeyFTRUUIALMOMCLM-UHFFFAOYSA-N
XLogP5.74
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline (CID 71180055) is 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline is CCOc1ccc2nc(-c3cccnc3)nc(-n3cnc4cc(Cl)c(Cl)cc43)c2c1.
What is the InChIKey of 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline?
The InChIKey is FTRUUIALMOMCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O/c1-2-30-14-5-6-18-15(8-14)22(28-21(27-18)13-4-3-7-25-11-13)29-12-26-19-9-16(23)17(24)10-20(19)29/h3-12H,2H2,1H3.
What are the key properties of 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline?
4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline has a molecular weight of 436.30 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichlorobenzimidazol-1-yl)-6-ethoxy-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71180055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).