[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine

C13H17N3O — CID 94934820

IUPAC[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)ncn2C[C@@H]1CCCO1
InChIInChI=1S/C13H17N3O/c14-7-10-3-4-13-12(6-10)15-9-16(13)8-11-2-1-5-17-11/h3-4,6,9,11H,1-2,5,7-8,14H2/t11-/m0/s1
InChIKeyQHQLAEJFTRJOPH-NSHDSACASA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds3

About [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine

[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine (PubChem CID 94934820) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine
PubChem CID94934820
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)ncn2C[C@@H]1CCCO1
InChIInChI=1S/C13H17N3O/c14-7-10-3-4-13-12(6-10)15-9-16(13)8-11-2-1-5-17-11/h3-4,6,9,11H,1-2,5,7-8,14H2/t11-/m0/s1
InChIKeyQHQLAEJFTRJOPH-NSHDSACASA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine?
The IUPAC name of [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine (CID 94934820) is [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine is NCc1ccc2c(c1)ncn2C[C@@H]1CCCO1.
What is the InChIKey of [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine?
The InChIKey is QHQLAEJFTRJOPH-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-10-3-4-13-12(6-10)15-9-16(13)8-11-2-1-5-17-11/h3-4,6,9,11H,1-2,5,7-8,14H2/t11-/m0/s1.
What are the key properties of [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine?
[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine is sourced from PubChem (CID 94934820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).