[2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol

C25H25N7O — CID 58541945

IUPAC[2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol
SMILESCC(C)(C)n1c(-c2ccccc2-n2cncn2)nc2cc(-c3cnc(N)c(CO)c3)ccc21
InChIInChI=1S/C25H25N7O/c1-25(2,3)32-22-9-8-16(17-10-18(13-33)23(26)28-12-17)11-20(22)30-24(32)19-6-4-5-7-21(19)31-15-27-14-29-31/h4-12,14-15,33H,13H2,1-3H3,(H2,26,28)
InChIKeyZGWWJJWZZLSZPY-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.18
Rot. Bonds4

About [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol

[2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol (PubChem CID 58541945) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol
PubChem CID58541945
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name[2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol
SMILESCC(C)(C)n1c(-c2ccccc2-n2cncn2)nc2cc(-c3cnc(N)c(CO)c3)ccc21
InChIInChI=1S/C25H25N7O/c1-25(2,3)32-22-9-8-16(17-10-18(13-33)23(26)28-12-17)11-20(22)30-24(32)19-6-4-5-7-21(19)31-15-27-14-29-31/h4-12,14-15,33H,13H2,1-3H3,(H2,26,28)
InChIKeyZGWWJJWZZLSZPY-UHFFFAOYSA-N
XLogP4.18
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol (CID 58541945) is [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol is CC(C)(C)n1c(-c2ccccc2-n2cncn2)nc2cc(-c3cnc(N)c(CO)c3)ccc21.
What is the InChIKey of [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol?
The InChIKey is ZGWWJJWZZLSZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-25(2,3)32-22-9-8-16(17-10-18(13-33)23(26)28-12-17)11-20(22)30-24(32)19-6-4-5-7-21(19)31-15-27-14-29-31/h4-12,14-15,33H,13H2,1-3H3,(H2,26,28).
What are the key properties of [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol?
[2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol has a molecular weight of 439.52 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[1-tert-butyl-2-[2-(1,2,4-triazol-1-yl)phenyl]benzimidazol-5-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 58541945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).