[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol

C20H15N5O — CID 171599320

IUPAC[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol
SMILES[C-]#[N+]c1ccc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CO)cc1
InChIInChI=1S/C20H15N5O/c1-22-14-6-9-18-17(11-14)24-20(16-3-2-10-23-19(16)21)25(18)15-7-4-13(12-26)5-8-15/h2-11,26H,12H2,(H2,21,23)
InChIKeySFZQFLWHBWRLQO-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.71
Rot. Bonds3

About [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol

[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol (PubChem CID 171599320) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol
PubChem CID171599320
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol
SMILES[C-]#[N+]c1ccc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CO)cc1
InChIInChI=1S/C20H15N5O/c1-22-14-6-9-18-17(11-14)24-20(16-3-2-10-23-19(16)21)25(18)15-7-4-13(12-26)5-8-15/h2-11,26H,12H2,(H2,21,23)
InChIKeySFZQFLWHBWRLQO-UHFFFAOYSA-N
XLogP3.71
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol (CID 171599320) is [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol is [C-]#[N+]c1ccc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CO)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol?
The InChIKey is SFZQFLWHBWRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-22-14-6-9-18-17(11-14)24-20(16-3-2-10-23-19(16)21)25(18)15-7-4-13(12-26)5-8-15/h2-11,26H,12H2,(H2,21,23).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol?
[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol has a molecular weight of 341.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol is sourced from PubChem (CID 171599320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).