4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine

C15H21N3O — CID 116870353

IUPAC4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
SMILESCc1nc2ccc(C3(CCC(C)N)COC3)cc2[nH]1
InChIInChI=1S/C15H21N3O/c1-10(16)5-6-15(8-19-9-15)12-3-4-13-14(7-12)18-11(2)17-13/h3-4,7,10H,5-6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyPDUYMARGQPPHAR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds4

About 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine

4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine (PubChem CID 116870353) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
PubChem CID116870353
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
SMILESCc1nc2ccc(C3(CCC(C)N)COC3)cc2[nH]1
InChIInChI=1S/C15H21N3O/c1-10(16)5-6-15(8-19-9-15)12-3-4-13-14(7-12)18-11(2)17-13/h3-4,7,10H,5-6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyPDUYMARGQPPHAR-UHFFFAOYSA-N
XLogP2.27
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869870
3-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanenitrile
CID 116873399
3-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
CID 116871956
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869495
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
CID 116872080
[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116944980
N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116872295
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116959618
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
CID 116870342
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine?
The IUPAC name of 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine (CID 116870353) is 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine?
The canonical SMILES for 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine is Cc1nc2ccc(C3(CCC(C)N)COC3)cc2[nH]1.
What is the InChIKey of 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine?
The InChIKey is PDUYMARGQPPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(16)5-6-15(8-19-9-15)12-3-4-13-14(7-12)18-11(2)17-13/h3-4,7,10H,5-6,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine?
4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine is sourced from PubChem (CID 116870353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).