4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine

C15H23N3O — CID 62389880

IUPAC4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
SMILESCOCCn1c(CCC(C)(C)N)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,16)9-8-14-17-12-6-4-5-7-13(12)18(14)10-11-19-3/h4-7H,8-11,16H2,1-3H3
InChIKeyBPGYDKOSLJJNHT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds6

About 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine

4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine (PubChem CID 62389880) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
PubChem CID62389880
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
SMILESCOCCn1c(CCC(C)(C)N)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,16)9-8-14-17-12-6-4-5-7-13(12)18(14)10-11-19-3/h4-7H,8-11,16H2,1-3H3
InChIKeyBPGYDKOSLJJNHT-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine
CID 66380393

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine (CID 62389880) is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine is COCCn1c(CCC(C)(C)N)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine?
The InChIKey is BPGYDKOSLJJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,16)9-8-14-17-12-6-4-5-7-13(12)18(14)10-11-19-3/h4-7H,8-11,16H2,1-3H3.
What are the key properties of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine?
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 62389880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).