N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine

C13H17N3O — CID 78946096

IUPACN-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
SMILESc1ccc2[nH]c(CNC3CCCOC3)nc2c1
InChIInChI=1S/C13H17N3O/c1-2-6-12-11(5-1)15-13(16-12)8-14-10-4-3-7-17-9-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16)
InChIKeyKEAULUDGZMQERE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine

N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine (PubChem CID 78946096) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
PubChem CID78946096
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
SMILESc1ccc2[nH]c(CNC3CCCOC3)nc2c1
InChIInChI=1S/C13H17N3O/c1-2-6-12-11(5-1)15-13(16-12)8-14-10-4-3-7-17-9-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16)
InChIKeyKEAULUDGZMQERE-UHFFFAOYSA-N
XLogP1.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
N-(1H-benzimidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 78954108
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 78960182
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
CID 51635795
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine (CID 78946096) is N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine is c1ccc2[nH]c(CNC3CCCOC3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine?
The InChIKey is KEAULUDGZMQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-6-12-11(5-1)15-13(16-12)8-14-10-4-3-7-17-9-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine?
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine has a molecular weight of 231.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine is sourced from PubChem (CID 78946096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).