N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine

C15H23N3O2 — CID 115735418

IUPACN-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
SMILESCOCCOCCCCNc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O2/c1-18-14-8-4-3-7-13(14)17-15(18)16-9-5-6-10-20-12-11-19-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,17)
InChIKeyCVBSGUWMPHMCHK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.43
Rot. Bonds9

About N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine

N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine (PubChem CID 115735418) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
PubChem CID115735418
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
SMILESCOCCOCCCCNc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O2/c1-18-14-8-4-3-7-13(14)17-15(18)16-9-5-6-10-20-12-11-19-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,17)
InChIKeyCVBSGUWMPHMCHK-UHFFFAOYSA-N
XLogP2.43
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine (CID 115735418) is N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine is COCCOCCCCNc1nc2ccccc2n1C.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine?
The InChIKey is CVBSGUWMPHMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-14-8-4-3-7-13(14)17-15(18)16-9-5-6-10-20-12-11-19-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine?
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 115735418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).