N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine

C16H25N3O — CID 115970736

IUPACN-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2ccccc2n1CCCNCCOC
InChIInChI=1S/C16H25N3O/c1-3-7-16-18-14-8-4-5-9-15(14)19(16)12-6-10-17-11-13-20-2/h4-5,8-9,17H,3,6-7,10-13H2,1-2H3
InChIKeyGTKKEGBMQMBJMZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds9

About N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine

N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine (PubChem CID 115970736) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
PubChem CID115970736
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2ccccc2n1CCCNCCOC
InChIInChI=1S/C16H25N3O/c1-3-7-16-18-14-8-4-5-9-15(14)19(16)12-6-10-17-11-13-20-2/h4-5,8-9,17H,3,6-7,10-13H2,1-2H3
InChIKeyGTKKEGBMQMBJMZ-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
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

N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115971123
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine (CID 115970736) is N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine is CCCc1nc2ccccc2n1CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is GTKKEGBMQMBJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-7-16-18-14-8-4-5-9-15(14)19(16)12-6-10-17-11-13-20-2/h4-5,8-9,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 115970736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).