N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine

C17H28N4O — CID 156704942

IUPACN-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CCNc1nc2ccccc2n1CCOCC
InChIInChI=1S/C17H28N4O/c1-4-11-20(3)12-10-18-17-19-15-8-6-7-9-16(15)21(17)13-14-22-5-2/h6-9H,4-5,10-14H2,1-3H3,(H,18,19)
InChIKeyFYDCUUCLTSLVHD-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.83
Rot. Bonds10

About N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine

N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine (PubChem CID 156704942) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine
PubChem CID156704942
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CCNc1nc2ccccc2n1CCOCC
InChIInChI=1S/C17H28N4O/c1-4-11-20(3)12-10-18-17-19-15-8-6-7-9-16(15)21(17)13-14-22-5-2/h6-9H,4-5,10-14H2,1-3H3,(H,18,19)
InChIKeyFYDCUUCLTSLVHD-UHFFFAOYSA-N
XLogP2.83
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine (CID 156704942) is N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine is CCCN(C)CCNc1nc2ccccc2n1CCOCC.
What is the InChIKey of N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine?
The InChIKey is FYDCUUCLTSLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-11-20(3)12-10-18-17-19-15-8-6-7-9-16(15)21(17)13-14-22-5-2/h6-9H,4-5,10-14H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine?
N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine has a molecular weight of 304.44 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 156704942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).