3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine

C15H23N3O — CID 115707746

IUPAC3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
SMILESCOC(C)C(C)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-11(12(2)19-4)16-9-10-18-13(3)17-14-7-5-6-8-15(14)18/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyQQVKVTYQYQUDCD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds6

About 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine

3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine (PubChem CID 115707746) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
PubChem CID115707746
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
SMILESCOC(C)C(C)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-11(12(2)19-4)16-9-10-18-13(3)17-14-7-5-6-8-15(14)18/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyQQVKVTYQYQUDCD-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
CID 66222131
(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one
CID 129323268
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
CID 62633045
methyl 2-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]propanoate
CID 91659946
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine (CID 115707746) is 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine is COC(C)C(C)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine?
The InChIKey is QQVKVTYQYQUDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(12(2)19-4)16-9-10-18-13(3)17-14-7-5-6-8-15(14)18/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine?
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115707746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).