3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine

C17H18N4O — CID 156539226

IUPAC3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine
SMILESNc1cc(-c2ccccn2)c2ncn(C3CCCCO3)c2c1
InChIInChI=1S/C17H18N4O/c18-12-9-13(14-5-1-3-7-19-14)17-15(10-12)21(11-20-17)16-6-2-4-8-22-16/h1,3,5,7,9-11,16H,2,4,6,8,18H2
InChIKeyOIPUPWSWKGEFRW-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.38
Rot. Bonds2

About 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine

3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine (PubChem CID 156539226) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine
PubChem CID156539226
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine
SMILESNc1cc(-c2ccccn2)c2ncn(C3CCCCO3)c2c1
InChIInChI=1S/C17H18N4O/c18-12-9-13(14-5-1-3-7-19-14)17-15(10-12)21(11-20-17)16-6-2-4-8-22-16/h1,3,5,7,9-11,16H,2,4,6,8,18H2
InChIKeyOIPUPWSWKGEFRW-UHFFFAOYSA-N
XLogP3.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-fluoro-1-(oxan-2-yl)benzimidazole
CID 141364724
N-[[3-(oxan-2-yl)-7-phenylbenzimidazol-5-yl]methyl]-5-(2H-tetrazol-5-yl)pyrimidin-2-amine
CID 156563042
[6-chloro-1-(oxan-2-yl)benzimidazol-4-yl]methylcarbamic acid
CID 71272416
4-methoxy-1-(oxan-2-yl)benzimidazole-5-carbaldehyde
CID 86694690
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole
CID 71272225
6-nitro-1-(oxan-2-yl)-4-pyrazol-1-ylbenzimidazole
CID 162773269
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
2-[2-(oxolan-2-yl)phenyl]pyridine
CID 122204034
3-bromoprop-1-ene;2-chloropyrimidine-5-carbonitrile;hydron;iron;methanol;6-nitro-1-(oxan-2-yl)-4-phenylbenzimidazole;6-nitro-4-phenyl-1H-benzimidazole;6-nitro-4-phenyl-1-prop-2-enylbenzimidazole;7-phenyl-3-prop-2-enylbenzimidazol-5-amine
CID 163880075
3-[[6-(2-aminophenyl)-9-(oxan-2-yl)purin-2-yl]amino]propan-1-ol
CID 89287921
1-[6-nitro-1-(oxan-2-yl)benzimidazol-4-yl]pyrrolidin-2-one
CID 156539268

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine?
The IUPAC name of 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine (CID 156539226) is 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine?
The canonical SMILES for 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine is Nc1cc(-c2ccccn2)c2ncn(C3CCCCO3)c2c1.
What is the InChIKey of 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine?
The InChIKey is OIPUPWSWKGEFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-12-9-13(14-5-1-3-7-19-14)17-15(10-12)21(11-20-17)16-6-2-4-8-22-16/h1,3,5,7,9-11,16H,2,4,6,8,18H2.
What are the key properties of 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine?
3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine has a molecular weight of 294.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-7-pyridin-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 156539226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).