oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine

C12H19N3O — CID 102969999

IUPACoxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
SMILESNC(c1nc2c([nH]1)CCCC2)C1CCOC1
InChIInChI=1S/C12H19N3O/c13-11(8-5-6-16-7-8)12-14-9-3-1-2-4-10(9)15-12/h8,11H,1-7,13H2,(H,14,15)
InChIKeyILRFFOTYPFCSQH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.32
Rot. Bonds2

About oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine

oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine (PubChem CID 102969999) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Nameoxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
PubChem CID102969999
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Nameoxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
SMILESNC(c1nc2c([nH]1)CCCC2)C1CCOC1
InChIInChI=1S/C12H19N3O/c13-11(8-5-6-16-7-8)12-14-9-3-1-2-4-10(9)15-12/h8,11H,1-7,13H2,(H,14,15)
InChIKeyILRFFOTYPFCSQH-UHFFFAOYSA-N
XLogP1.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
CID 102970245
oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363411
[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
CID 102970575
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine
CID 43559369
cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
CID 155821044
oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61330085
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
The IUPAC name of oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine (CID 102969999) is oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine.
What is the SMILES notation for oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
The canonical SMILES for oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine is NC(c1nc2c([nH]1)CCCC2)C1CCOC1.
What is the InChIKey of oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
The InChIKey is ILRFFOTYPFCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11(8-5-6-16-7-8)12-14-9-3-1-2-4-10(9)15-12/h8,11H,1-7,13H2,(H,14,15).
What are the key properties of oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine?
oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine is sourced from PubChem (CID 102969999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).