[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine

C13H17N3O — CID 104721251

IUPAC[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(C3CCCOC3)nc12
InChIInChI=1S/C13H17N3O/c14-7-9-3-1-5-11-12(9)16-13(15-11)10-4-2-6-17-8-10/h1,3,5,10H,2,4,6-8,14H2,(H,15,16)
InChIKeySKTSISLBEZTZMS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds2

About [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine

[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721251) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721251
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(C3CCCOC3)nc12
InChIInChI=1S/C13H17N3O/c14-7-9-3-1-5-11-12(9)16-13(15-11)10-4-2-6-17-8-10/h1,3,5,10H,2,4,6-8,14H2,(H,15,16)
InChIKeySKTSISLBEZTZMS-UHFFFAOYSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821401
2-cyclopropyl-4-ethyl-1H-benzimidazole
CID 91216645
6-bromo-2-[(3R)-oxan-3-yl]-1H-benzimidazole
CID 70141450
5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 65484248
2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55151063
[3-bromo-2-(oxan-3-yloxy)phenyl]methanamine
CID 107134325
[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145705
[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721320
2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241537
[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine
CID 115033407
6-(oxan-3-yl)-1H-pyridin-2-one
CID 172992133
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine (CID 104721251) is [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(C3CCCOC3)nc12.
What is the InChIKey of [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is SKTSISLBEZTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-9-3-1-5-11-12(9)16-13(15-11)10-4-2-6-17-8-10/h1,3,5,10H,2,4,6-8,14H2,(H,15,16).
What are the key properties of [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine?
[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).