1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole

C32H29N5O — CID 165377327

IUPAC1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole
SMILESCC(C)(C)c1cc(Oc2ccnc(-c3ccccn3)c2)cc(N2CN(c3ccccn3)c3ccccc32)c1
InChIInChI=1S/C32H29N5O/c1-32(2,3)23-18-24(36-22-37(31-13-7-9-16-35-31)30-12-5-4-11-29(30)36)20-26(19-23)38-25-14-17-34-28(21-25)27-10-6-8-15-33-27/h4-21H,22H2,1-3H3
InChIKeyGLLBEXCDLMKKSB-UHFFFAOYSA-N
MW499.62 g/mol
LogP7.88
Rot. Bonds5

About 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole

1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole (PubChem CID 165377327) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole
PubChem CID165377327
Molecular FormulaC32H29N5O
Molecular Weight499.62 g/mol
Exact Mass499.24
IUPAC Name1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole
SMILESCC(C)(C)c1cc(Oc2ccnc(-c3ccccn3)c2)cc(N2CN(c3ccccn3)c3ccccc32)c1
InChIInChI=1S/C32H29N5O/c1-32(2,3)23-18-24(36-22-37(31-13-7-9-16-35-31)30-12-5-4-11-29(30)36)20-26(19-23)38-25-14-17-34-28(21-25)27-10-6-8-15-33-27/h4-21H,22H2,1-3H3
InChIKeyGLLBEXCDLMKKSB-UHFFFAOYSA-N
XLogP7.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole with MolForge

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Related Compounds

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
1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]-2H-benzimidazole
CID 155651329
1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
CID 166007124
2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652621
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-7-(trideuteriomethyl)carbazole
CID 155652537
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771936
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(3,5-ditert-butylphenoxy)-2-pyridinyl]carbazole
CID 170671539
2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 159717140

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole?
The IUPAC name of 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole (CID 165377327) is 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole.
What is the SMILES notation for 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole?
The canonical SMILES for 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole is CC(C)(C)c1cc(Oc2ccnc(-c3ccccn3)c2)cc(N2CN(c3ccccn3)c3ccccc32)c1.
What is the InChIKey of 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole?
The InChIKey is GLLBEXCDLMKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O/c1-32(2,3)23-18-24(36-22-37(31-13-7-9-16-35-31)30-12-5-4-11-29(30)36)20-26(19-23)38-25-14-17-34-28(21-25)27-10-6-8-15-33-27/h4-21H,22H2,1-3H3.
What are the key properties of 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole?
1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole has a molecular weight of 499.62 g/mol, XLogP of 7.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-5-[(2-pyridin-2-yl-4-pyridinyl)oxy]phenyl]-3-pyridin-2-yl-2H-benzimidazole is sourced from PubChem (CID 165377327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).