[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine

C14H21N3O — CID 112605673

IUPAC[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
SMILESCn1c(COC(C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)18-9-13-16-11-7-10(8-15)5-6-12(11)17(13)4/h5-7H,8-9,15H2,1-4H3
InChIKeyMEFAOMKWAIAUKV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds3

About [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine

[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine (PubChem CID 112605673) 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-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
PubChem CID112605673
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
SMILESCn1c(COC(C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)18-9-13-16-11-7-10(8-15)5-6-12(11)17(13)4/h5-7H,8-9,15H2,1-4H3
InChIKeyMEFAOMKWAIAUKV-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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Related Compounds

[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040340
[1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]methanamine
CID 103213105
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65038217
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
CID 65038212
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine (CID 112605673) is [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine is Cn1c(COC(C)(C)C)nc2cc(CN)ccc21.
What is the InChIKey of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine?
The InChIKey is MEFAOMKWAIAUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)18-9-13-16-11-7-10(8-15)5-6-12(11)17(13)4/h5-7H,8-9,15H2,1-4H3.
What are the key properties of [1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine?
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-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-5-yl]methanamine is sourced from PubChem (CID 112605673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).