2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine

C16H24N4O — CID 61431016

IUPAC2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCCCO1
InChIInChI=1S/C16H24N4O/c1-20(11-13-4-2-3-9-21-13)8-7-16-18-14-6-5-12(17)10-15(14)19-16/h5-6,10,13H,2-4,7-9,11,17H2,1H3,(H,18,19)
InChIKeyJMBKIESRUZCRFO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.19
Rot. Bonds5

About 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine

2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine (PubChem CID 61431016) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
PubChem CID61431016
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCCCO1
InChIInChI=1S/C16H24N4O/c1-20(11-13-4-2-3-9-21-13)8-7-16-18-14-6-5-12(17)10-15(14)19-16/h5-6,10,13H,2-4,7-9,11,17H2,1H3,(H,18,19)
InChIKeyJMBKIESRUZCRFO-UHFFFAOYSA-N
XLogP2.19
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine (CID 61431016) is 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine is CN(CCc1nc2ccc(N)cc2[nH]1)CC1CCCCO1.
What is the InChIKey of 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine?
The InChIKey is JMBKIESRUZCRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-20(11-13-4-2-3-9-21-13)8-7-16-18-14-6-5-12(17)10-15(14)19-16/h5-6,10,13H,2-4,7-9,11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine?
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine has a molecular weight of 288.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 61431016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).