1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine

C14H19N3O — CID 116869870

IUPAC1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCc1nc2ccc(C3(CC(C)N)COC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-9(15)6-14(7-18-8-14)11-3-4-12-13(5-11)17-10(2)16-12/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyODSRNMPVQACUED-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.88
Rot. Bonds3

About 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine

1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869870) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869870
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCc1nc2ccc(C3(CC(C)N)COC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-9(15)6-14(7-18-8-14)11-3-4-12-13(5-11)17-10(2)16-12/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyODSRNMPVQACUED-UHFFFAOYSA-N
XLogP1.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine (CID 116869870) is 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine is Cc1nc2ccc(C3(CC(C)N)COC3)cc2[nH]1.
What is the InChIKey of 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is ODSRNMPVQACUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(15)6-14(7-18-8-14)11-3-4-12-13(5-11)17-10(2)16-12/h3-5,9H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).