6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline

C38H35N5O — CID 162771869

IUPAC6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline
SMILESCc1nc2n(c1C)CN(c1cc(Oc3cncc(-c4cc(C(C)(C)C)ccn4)c3)cc(-c3ccccc3)c1)c1ccccc1-2
InChIInChI=1S/C38H35N5O/c1-25-26(2)42-24-43(36-14-10-9-13-34(36)37(42)41-25)31-17-28(27-11-7-6-8-12-27)18-32(21-31)44-33-19-29(22-39-23-33)35-20-30(15-16-40-35)38(3,4)5/h6-23H,24H2,1-5H3
InChIKeyQYFWYTHOLJNXKU-UHFFFAOYSA-N
MW577.73 g/mol
LogP9.49
Rot. Bonds5

About 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline

6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline (PubChem CID 162771869) has the molecular formula C38H35N5O and a molecular weight of 577.73 g/mol. Its IUPAC name is 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline
PubChem CID162771869
Molecular FormulaC38H35N5O
Molecular Weight577.73 g/mol
Exact Mass577.28
IUPAC Name6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline
SMILESCc1nc2n(c1C)CN(c1cc(Oc3cncc(-c4cc(C(C)(C)C)ccn4)c3)cc(-c3ccccc3)c1)c1ccccc1-2
InChIInChI=1S/C38H35N5O/c1-25-26(2)42-24-43(36-14-10-9-13-34(36)37(42)41-25)31-17-28(27-11-7-6-8-12-27)18-32(21-31)44-33-19-29(22-39-23-33)35-20-30(15-16-40-35)38(3,4)5/h6-23H,24H2,1-5H3
InChIKeyQYFWYTHOLJNXKU-UHFFFAOYSA-N
XLogP9.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771849
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 172530270
1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
CID 140825520
5-[3-tert-butyl-5-[9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771930
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]-5-pyridin-4-ylphenoxy]carbazole
CID 169065932
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(3-methylpentan-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651139
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172530491
2-tert-butyl-7-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158502494
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 162165008
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-pyridinyl]-4-pyridinyl]oxy]phenyl]-3-methyl-2H-benzimidazole
CID 165155015

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline?
The IUPAC name of 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline (CID 162771869) is 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline is Cc1nc2n(c1C)CN(c1cc(Oc3cncc(-c4cc(C(C)(C)C)ccn4)c3)cc(-c3ccccc3)c1)c1ccccc1-2.
What is the InChIKey of 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline?
The InChIKey is QYFWYTHOLJNXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N5O/c1-25-26(2)42-24-43(36-14-10-9-13-34(36)37(42)41-25)31-17-28(27-11-7-6-8-12-27)18-32(21-31)44-33-19-29(22-39-23-33)35-20-30(15-16-40-35)38(3,4)5/h6-23H,24H2,1-5H3.
What are the key properties of 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline?
6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline has a molecular weight of 577.73 g/mol, XLogP of 9.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline is sourced from PubChem (CID 162771869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).