(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine

C15H23N3O — CID 71666750

IUPAC(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCO[C@H](C)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H23N3O/c1-9(19-5)13(16)14-17-11-7-6-10(15(2,3)4)8-12(11)18-14/h6-9,13H,16H2,1-5H3,(H,17,18)/t9-,13+/m1/s1
InChIKeyPUKGWXVGTJQQCL-RNCFNFMXSA-N
MW261.37 g/mol
LogP2.90
Rot. Bonds3

About (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine

(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 71666750) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
PubChem CID71666750
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCO[C@H](C)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H23N3O/c1-9(19-5)13(16)14-17-11-7-6-10(15(2,3)4)8-12(11)18-14/h6-9,13H,16H2,1-5H3,(H,17,18)/t9-,13+/m1/s1
InChIKeyPUKGWXVGTJQQCL-RNCFNFMXSA-N
XLogP2.90
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine (CID 71666750) is (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine is CO[C@H](C)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1.
What is the InChIKey of (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is PUKGWXVGTJQQCL-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(19-5)13(16)14-17-11-7-6-10(15(2,3)4)8-12(11)18-14/h6-9,13H,16H2,1-5H3,(H,17,18)/t9-,13+/m1/s1.
What are the key properties of (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
(1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 71666750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).