1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine

C16H23N3O — CID 62507903

IUPAC1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CC1CCCOC1
InChIInChI=1S/C16H23N3O/c1-11(2)16-18-14-8-13(17)5-6-15(14)19(16)9-12-4-3-7-20-10-12/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3
InChIKeyDXGZUYOVYSYRAB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.17
Rot. Bonds3

About 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine

1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62507903) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62507903
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CC1CCCOC1
InChIInChI=1S/C16H23N3O/c1-11(2)16-18-14-8-13(17)5-6-15(14)19(16)9-12-4-3-7-20-10-12/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3
InChIKeyDXGZUYOVYSYRAB-UHFFFAOYSA-N
XLogP3.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137531
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
2-(1-chloroethyl)-3-(oxan-3-ylmethyl)benzimidazole-5-carbonitrile
CID 104715623
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-(1-chloroethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136315
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497929

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine (CID 62507903) is 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1CC1CCCOC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is DXGZUYOVYSYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)16-18-14-8-13(17)5-6-15(14)19(16)9-12-4-3-7-20-10-12/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3.
What are the key properties of 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62507903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).