6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide

C98H64N16O10 — CID 134301749

IUPAC6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(-c3nc4ccc(-c5cccc6oc(-c7cccc(C(=O)N8CCN(C(=O)c9cccc(-c%10nc%11ccccc%11o%10)c9)C(c9cc(NC(=O)c%10cccc(-c%11nc%12ccccc%12[nH]%11)n%10)ccc9NC(=O)c9cccc(-c%10nc%11ccccc%11[nH]%10)n9)C8)c7)nc56)cc4o3)c2)cc1)c1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C98H64N16O10/c115-89(56-16-9-18-58(48-56)93-109-74-29-5-7-35-82(74)121-93)99-64-39-41-65(42-40-64)100-90(116)57-17-10-19-59(49-57)95-111-76-44-38-55(52-85(76)124-95)67-24-13-37-84-86(67)112-96(123-84)61-21-11-22-62(50-61)97(119)113-46-47-114(98(120)63-23-12-20-60(51-63)94-110-75-30-6-8-36-83(75)122-94)81(54-113)68-53-66(101-91(117)79-33-14-31-77(102-79)87-104-70-25-1-2-26-71(70)105-87)43-45-69(68)108-92(118)80-34-15-32-78(103-80)88-106-72-27-3-4-28-73(72)107-88/h1-45,48-53,81H,46-47,54H2,(H,99,115)(H,100,116)(H,101,117)(H,104,105)(H,106,107)(H,108,118)
InChIKeyJXQACFAFMXSUBT-UHFFFAOYSA-N
MW1625.69 g/mol
LogP19.81
Rot. Bonds18

About 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide

6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 134301749) has the molecular formula C98H64N16O10 and a molecular weight of 1625.69 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID134301749
Molecular FormulaC98H64N16O10
Molecular Weight1625.69 g/mol
Exact Mass1624.50
IUPAC Name6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(-c3nc4ccc(-c5cccc6oc(-c7cccc(C(=O)N8CCN(C(=O)c9cccc(-c%10nc%11ccccc%11o%10)c9)C(c9cc(NC(=O)c%10cccc(-c%11nc%12ccccc%12[nH]%11)n%10)ccc9NC(=O)c9cccc(-c%10nc%11ccccc%11[nH]%10)n9)C8)c7)nc56)cc4o3)c2)cc1)c1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C98H64N16O10/c115-89(56-16-9-18-58(48-56)93-109-74-29-5-7-35-82(74)121-93)99-64-39-41-65(42-40-64)100-90(116)57-17-10-19-59(49-57)95-111-76-44-38-55(52-85(76)124-95)67-24-13-37-84-86(67)112-96(123-84)61-21-11-22-62(50-61)97(119)113-46-47-114(98(120)63-23-12-20-60(51-63)94-110-75-30-6-8-36-83(75)122-94)81(54-113)68-53-66(101-91(117)79-33-14-31-77(102-79)87-104-70-25-1-2-26-71(70)105-87)43-45-69(68)108-92(118)80-34-15-32-78(103-80)88-106-72-27-3-4-28-73(72)107-88/h1-45,48-53,81H,46-47,54H2,(H,99,115)(H,100,116)(H,101,117)(H,104,105)(H,106,107)(H,108,118)
InChIKeyJXQACFAFMXSUBT-UHFFFAOYSA-N
XLogP19.81
TPSA344.28 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.69
LogP ≤ 519.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide (CID 134301749) is 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cccc(-c3nc4ccc(-c5cccc6oc(-c7cccc(C(=O)N8CCN(C(=O)c9cccc(-c%10nc%11ccccc%11o%10)c9)C(c9cc(NC(=O)c%10cccc(-c%11nc%12ccccc%12[nH]%11)n%10)ccc9NC(=O)c9cccc(-c%10nc%11ccccc%11[nH]%10)n9)C8)c7)nc56)cc4o3)c2)cc1)c1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is JXQACFAFMXSUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N16O10/c115-89(56-16-9-18-58(48-56)93-109-74-29-5-7-35-82(74)121-93)99-64-39-41-65(42-40-64)100-90(116)57-17-10-19-59(49-57)95-111-76-44-38-55(52-85(76)124-95)67-24-13-37-84-86(67)112-96(123-84)61-21-11-22-62(50-61)97(119)113-46-47-114(98(120)63-23-12-20-60(51-63)94-110-75-30-6-8-36-83(75)122-94)81(54-113)68-53-66(101-91(117)79-33-14-31-77(102-79)87-104-70-25-1-2-26-71(70)105-87)43-45-69(68)108-92(118)80-34-15-32-78(103-80)88-106-72-27-3-4-28-73(72)107-88/h1-45,48-53,81H,46-47,54H2,(H,99,115)(H,100,116)(H,101,117)(H,104,105)(H,106,107)(H,108,118).
What are the key properties of 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide?
6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 1625.69 g/mol, XLogP of 19.81, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-N-[4-[[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]amino]-3-[1-[3-(1,3-benzoxazol-2-yl)benzoyl]-4-[3-[4-[2-[3-[[4-[[3-(1,3-benzoxazol-2-yl)benzoyl]amino]phenyl]carbamoyl]phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]benzoyl]piperazin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 134301749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).