[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine

C14H21N3O — CID 104721374

IUPAC[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
SMILESCn1c(COC(C)(C)C)nc2c(CN)cccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)18-9-12-16-13-10(8-15)6-5-7-11(13)17(12)4/h5-7H,8-9,15H2,1-4H3
InChIKeyYGANHXIXOAJSAL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds3

About [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine

[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine (PubChem CID 104721374) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
PubChem CID104721374
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
SMILESCn1c(COC(C)(C)C)nc2c(CN)cccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)18-9-12-16-13-10(8-15)6-5-7-11(13)17(12)4/h5-7H,8-9,15H2,1-4H3
InChIKeyYGANHXIXOAJSAL-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine (CID 104721374) is [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine is Cn1c(COC(C)(C)C)nc2c(CN)cccc21.
What is the InChIKey of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine?
The InChIKey is YGANHXIXOAJSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)18-9-12-16-13-10(8-15)6-5-7-11(13)17(12)4/h5-7H,8-9,15H2,1-4H3.
What are the key properties of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine?
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).