2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile

C20H15N5O — CID 171494383

IUPAC2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccnc3N)n(-c3ccc(CO)cc3)c2c1
InChIInChI=1S/C20H15N5O/c21-11-14-5-8-17-18(10-14)25(15-6-3-13(12-26)4-7-15)20(24-17)16-2-1-9-23-19(16)22/h1-10,26H,12H2,(H2,22,23)
InChIKeyHGRLUDAWBKYSIY-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.03
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile

2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile (PubChem CID 171494383) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile
PubChem CID171494383
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccnc3N)n(-c3ccc(CO)cc3)c2c1
InChIInChI=1S/C20H15N5O/c21-11-14-5-8-17-18(10-14)25(15-6-3-13(12-26)4-7-15)20(24-17)16-2-1-9-23-19(16)22/h1-10,26H,12H2,(H2,22,23)
InChIKeyHGRLUDAWBKYSIY-UHFFFAOYSA-N
XLogP3.03
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol
CID 171599320
[4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane
CID 171496389
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
CID 58345129
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171069078
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-amino-3-[4-(cyanomethyl)phenyl]benzimidazole-5-carbonitrile
CID 104714998
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787
2-(2-amino-3-pyridinyl)-1-[4-(hydroxymethyl)phenyl]-5-isocyanoimidazo[4,5-b]pyrazine-6-carbonitrile
CID 171599317
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599297

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile (CID 171494383) is 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cccnc3N)n(-c3ccc(CO)cc3)c2c1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile?
The InChIKey is HGRLUDAWBKYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c21-11-14-5-8-17-18(10-14)25(15-6-3-13(12-26)4-7-15)20(24-17)16-2-1-9-23-19(16)22/h1-10,26H,12H2,(H2,22,23).
What are the key properties of 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile?
2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 171494383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).