5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline

C35H30N4O — CID 162771849

IUPAC5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1ccnc(-c2cccc(Oc3cccc(N4Cn5c(nc6ccccc65)-c5ccccc54)c3)c2)c1
InChIInChI=1S/C35H30N4O/c1-35(2,3)25-18-19-36-31(21-25)24-10-8-12-27(20-24)40-28-13-9-11-26(22-28)38-23-39-33-17-7-5-15-30(33)37-34(39)29-14-4-6-16-32(29)38/h4-22H,23H2,1-3H3
InChIKeyMCHBPKAMVBXAIC-UHFFFAOYSA-N
MW522.65 g/mol
LogP8.96
Rot. Bonds4

About 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline

5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 162771849) has the molecular formula C35H30N4O and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID162771849
Molecular FormulaC35H30N4O
Molecular Weight522.65 g/mol
Exact Mass522.24
IUPAC Name5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1ccnc(-c2cccc(Oc3cccc(N4Cn5c(nc6ccccc65)-c5ccccc54)c3)c2)c1
InChIInChI=1S/C35H30N4O/c1-35(2,3)25-18-19-36-31(21-25)24-10-8-12-27(20-24)40-28-13-9-11-26(22-28)38-23-39-33-17-7-5-15-30(33)37-34(39)29-14-4-6-16-32(29)38/h4-22H,23H2,1-3H3
InChIKeyMCHBPKAMVBXAIC-UHFFFAOYSA-N
XLogP8.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline with MolForge

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Related Compounds

6-[3-[[5-(4-tert-butyl-2-pyridinyl)-3-pyridinyl]oxy]-5-phenylphenyl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazoline
CID 162771869
5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771936
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
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-5-phenylcarbazole
CID 155652581
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
13-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-21-thia-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11(16),12,14,18,20(28),22,24,26-tridecaene
CID 162487063
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
CID 153428997
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline (CID 162771849) is 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline is CC(C)(C)c1ccnc(-c2cccc(Oc3cccc(N4Cn5c(nc6ccccc65)-c5ccccc54)c3)c2)c1.
What is the InChIKey of 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is MCHBPKAMVBXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O/c1-35(2,3)25-18-19-36-31(21-25)24-10-8-12-27(20-24)40-28-13-9-11-26(22-28)38-23-39-33-17-7-5-15-30(33)37-34(39)29-14-4-6-16-32(29)38/h4-22H,23H2,1-3H3.
What are the key properties of 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline?
5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 522.65 g/mol, XLogP of 8.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 162771849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).