1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine

C15H23N3O — CID 62479144

IUPAC1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-15(2,3)18-13-8-6-5-7-12(13)17-14(18)11(16)9-10-19-4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyHPEVRSBBPYOZKY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds4

About 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine

1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine (PubChem CID 62479144) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine
PubChem CID62479144
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-15(2,3)18-13-8-6-5-7-12(13)17-14(18)11(16)9-10-19-4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyHPEVRSBBPYOZKY-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144442
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-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 81456416
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine (CID 62479144) is 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine is COCCC(N)c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine?
The InChIKey is HPEVRSBBPYOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)18-13-8-6-5-7-12(13)17-14(18)11(16)9-10-19-4/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine?
1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62479144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).