2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol

C37H25N9O — CID 170298686

IUPAC2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol
SMILESOc1cc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc(-n3nc4ccccc4n3)cc2)ccc1-n1nc2ccccc2n1
InChIInChI=1S/C37H25N9O/c47-36-23-29(20-21-35(36)46-41-32-9-3-4-10-33(32)42-46)44(26-14-12-25(13-15-26)34-24-43-22-6-5-11-37(43)38-34)27-16-18-28(19-17-27)45-39-30-7-1-2-8-31(30)40-45/h1-24,47H
InChIKeyKODMMVFNELQGFC-UHFFFAOYSA-N
MW611.67 g/mol
LogP7.64
Rot. Bonds6

About 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol

2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol (PubChem CID 170298686) has the molecular formula C37H25N9O and a molecular weight of 611.67 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol
PubChem CID170298686
Molecular FormulaC37H25N9O
Molecular Weight611.67 g/mol
Exact Mass611.22
IUPAC Name2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol
SMILESOc1cc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc(-n3nc4ccccc4n3)cc2)ccc1-n1nc2ccccc2n1
InChIInChI=1S/C37H25N9O/c47-36-23-29(20-21-35(36)46-41-32-9-3-4-10-33(32)42-46)44(26-14-12-25(13-15-26)34-24-43-22-6-5-11-37(43)38-34)27-16-18-28(19-17-27)45-39-30-7-1-2-8-31(30)40-45/h1-24,47H
InChIKeyKODMMVFNELQGFC-UHFFFAOYSA-N
XLogP7.64
TPSA102.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.67
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol (CID 170298686) is 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol is Oc1cc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc(-n3nc4ccccc4n3)cc2)ccc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol?
The InChIKey is KODMMVFNELQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N9O/c47-36-23-29(20-21-35(36)46-41-32-9-3-4-10-33(32)42-46)44(26-14-12-25(13-15-26)34-24-43-22-6-5-11-37(43)38-34)27-16-18-28(19-17-27)45-39-30-7-1-2-8-31(30)40-45/h1-24,47H.
What are the key properties of 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol?
2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol has a molecular weight of 611.67 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-(N-[4-(benzotriazol-2-yl)phenyl]-4-imidazo[1,2-a]pyridin-2-ylanilino)phenol is sourced from PubChem (CID 170298686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).