N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine

C14H21N3O — CID 62563351

IUPACN-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
SMILESCOCCNCC(C)n1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-11(10-15-8-9-18-3)17-12(2)16-13-6-4-5-7-14(13)17/h4-7,11,15H,8-10H2,1-3H3
InChIKeyMJNNIXYESZOPDD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine

N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine (PubChem CID 62563351) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
PubChem CID62563351
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
SMILESCOCCNCC(C)n1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-11(10-15-8-9-18-3)17-12(2)16-13-6-4-5-7-14(13)17/h4-7,11,15H,8-10H2,1-3H3
InChIKeyMJNNIXYESZOPDD-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
CID 62563525
1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 62564183
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 62563007
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
3-(2-methylbenzimidazol-1-yl)butan-2-amine
CID 61351774
N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
CID 62563009
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine (CID 62563351) is N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine is COCCNCC(C)n1c(C)nc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is MJNNIXYESZOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(10-15-8-9-18-3)17-12(2)16-13-6-4-5-7-14(13)17/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine?
N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 62563351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).