N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine

C15H21N3O — CID 115335614

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-12-13(7-10-19-12)16-8-4-9-18-11-17-14-5-2-3-6-15(14)18/h2-3,5-6,11-13,16H,4,7-10H2,1H3
InChIKeyMCDDHYCNAQEHBJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine

N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine (PubChem CID 115335614) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine
PubChem CID115335614
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-12-13(7-10-19-12)16-8-4-9-18-11-17-14-5-2-3-6-15(14)18/h2-3,5-6,11-13,16H,4,7-10H2,1H3
InChIKeyMCDDHYCNAQEHBJ-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
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-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
CID 28660029
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
N-[3-(benzimidazol-1-yl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121675
N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80693050
N-[3-(benzimidazol-1-yl)propyl]thian-3-amine
CID 62872143
N-[3-(benzimidazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 60708513
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
bis(1-butylbenzimidazole);ethane
CID 142164287
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
CID 43094155

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine (CID 115335614) is N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine is CC1OCCC1NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine?
The InChIKey is MCDDHYCNAQEHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-13(7-10-19-12)16-8-4-9-18-11-17-14-5-2-3-6-15(14)18/h2-3,5-6,11-13,16H,4,7-10H2,1H3.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine?
N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine has a molecular weight of 259.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).