[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine

C16H25N3O — CID 115950378

IUPAC[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCC(C)n1c(COC(C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C16H25N3O/c1-11(2)19-14-7-6-12(9-17)8-13(14)18-15(19)10-20-16(3,4)5/h6-8,11H,9-10,17H2,1-5H3
InChIKeyFDFJCEDFURCODM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.39
Rot. Bonds4

About [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine

[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine (PubChem CID 115950378) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
PubChem CID115950378
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCC(C)n1c(COC(C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C16H25N3O/c1-11(2)19-14-7-6-12(9-17)8-13(14)18-15(19)10-20-16(3,4)5/h6-8,11H,9-10,17H2,1-5H3
InChIKeyFDFJCEDFURCODM-UHFFFAOYSA-N
XLogP3.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
CID 112605673
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037701
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 141375297
[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
CID 65038212

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine (CID 115950378) is [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine is CC(C)n1c(COC(C)(C)C)nc2cc(CN)ccc21.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The InChIKey is FDFJCEDFURCODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)19-14-7-6-12(9-17)8-13(14)18-15(19)10-20-16(3,4)5/h6-8,11H,9-10,17H2,1-5H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine?
[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 115950378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).