6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline

C22H20BrN5 — CID 133452451

IUPAC6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline
SMILESBrc1ccc2ncnc(N3CCc4c(ncn4CCc4ccccc4)C3)c2c1
InChIInChI=1S/C22H20BrN5/c23-17-6-7-19-18(12-17)22(25-14-24-19)27-11-9-21-20(13-27)26-15-28(21)10-8-16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2
InChIKeyLDICBZSKVNCJRT-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.39
Rot. Bonds4

About 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline

6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline (PubChem CID 133452451) has the molecular formula C22H20BrN5 and a molecular weight of 434.34 g/mol. Its IUPAC name is 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline
PubChem CID133452451
Molecular FormulaC22H20BrN5
Molecular Weight434.34 g/mol
Exact Mass433.09
IUPAC Name6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline
SMILESBrc1ccc2ncnc(N3CCc4c(ncn4CCc4ccccc4)C3)c2c1
InChIInChI=1S/C22H20BrN5/c23-17-6-7-19-18(12-17)22(25-14-24-19)27-11-9-21-20(13-27)26-15-28(21)10-8-16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2
InChIKeyLDICBZSKVNCJRT-UHFFFAOYSA-N
XLogP4.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline?
The IUPAC name of 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline (CID 133452451) is 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline.
What is the SMILES notation for 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline?
The canonical SMILES for 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline is Brc1ccc2ncnc(N3CCc4c(ncn4CCc4ccccc4)C3)c2c1.
What is the InChIKey of 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline?
The InChIKey is LDICBZSKVNCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5/c23-17-6-7-19-18(12-17)22(25-14-24-19)27-11-9-21-20(13-27)26-15-28(21)10-8-16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2.
What are the key properties of 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline?
6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline has a molecular weight of 434.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline is sourced from PubChem (CID 133452451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).