2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine

C14H21N3O — CID 114144442

IUPAC2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-14(2,3)17-11-8-6-5-7-10(11)16-13(17)12(9-15)18-4/h5-8,12H,9,15H2,1-4H3
InChIKeyKHGYETKWJFMONU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds3

About 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine

2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine (PubChem CID 114144442) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
PubChem CID114144442
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-14(2,3)17-11-8-6-5-7-10(11)16-13(17)12(9-15)18-4/h5-8,12H,9,15H2,1-4H3
InChIKeyKHGYETKWJFMONU-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine
CID 106108743
1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine
CID 62479144
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732
3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol
CID 107835391
ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
CID 79480777
(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 62696105
2-methoxy-2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 114144455
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951
4-[(1-tert-butylbenzimidazol-2-yl)methyl]aniline
CID 43142702
1-tert-butyl-2-ethynylbenzimidazole
CID 165467683
2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144451

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine?
The IUPAC name of 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine (CID 114144442) is 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine is COC(CN)c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine?
The InChIKey is KHGYETKWJFMONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)17-11-8-6-5-7-10(11)16-13(17)12(9-15)18-4/h5-8,12H,9,15H2,1-4H3.
What are the key properties of 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine?
2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine is sourced from PubChem (CID 114144442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).