N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide

C26H36N4O2 — CID 135457531

IUPACN-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)[nH]c2c1
InChIInChI=1S/C26H36N4O2/c1-24(2,3)16-12-17(21(31)18(13-16)25(4,5)6)22-29-19-10-9-15(11-20(19)30-22)23(32)28-14-26(7,8)27/h9-13,31H,14,27H2,1-8H3,(H,28,32)(H,29,30)
InChIKeyQWTYIKYMJQSIJQ-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.00
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide

N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 135457531) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID135457531
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)[nH]c2c1
InChIInChI=1S/C26H36N4O2/c1-24(2,3)16-12-17(21(31)18(13-16)25(4,5)6)22-29-19-10-9-15(11-20(19)30-22)23(32)28-14-26(7,8)27/h9-13,31H,14,27H2,1-8H3,(H,28,32)(H,29,30)
InChIKeyQWTYIKYMJQSIJQ-UHFFFAOYSA-N
XLogP5.00
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide (CID 135457531) is N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide is CC(C)(N)CNC(=O)c1ccc2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)[nH]c2c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is QWTYIKYMJQSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-24(2,3)16-12-17(21(31)18(13-16)25(4,5)6)22-29-19-10-9-15(11-20(19)30-22)23(32)28-14-26(7,8)27/h9-13,31H,14,27H2,1-8H3,(H,28,32)(H,29,30).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(3,5-ditert-butyl-2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135457531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).