1-(7-methyloctyl)benzimidazol-5-amine

C16H25N3 — CID 107818163

IUPAC1-(7-methyloctyl)benzimidazol-5-amine
SMILESCC(C)CCCCCCn1cnc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-13(2)7-5-3-4-6-10-19-12-18-15-11-14(17)8-9-16(15)19/h8-9,11-13H,3-7,10,17H2,1-2H3
InChIKeyRBIRZWYVHKDJTC-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.22
Rot. Bonds7

About 1-(7-methyloctyl)benzimidazol-5-amine

1-(7-methyloctyl)benzimidazol-5-amine (PubChem CID 107818163) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(7-methyloctyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(7-methyloctyl)benzimidazol-5-amine
PubChem CID107818163
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(7-methyloctyl)benzimidazol-5-amine
SMILESCC(C)CCCCCCn1cnc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-13(2)7-5-3-4-6-10-19-12-18-15-11-14(17)8-9-16(15)19/h8-9,11-13H,3-7,10,17H2,1-2H3
InChIKeyRBIRZWYVHKDJTC-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-aminobenzimidazol-1-yl)butan-2-ol
CID 64912560
3-(5-aminobenzimidazol-1-yl)propan-1-ol
CID 6504205
N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide
CID 106338404
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
3-(7-methyloctyl)benzimidazole-5-carboxylic acid
CID 107817480
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
3-(5-methylhexyl)benzimidazole-5-carboxylic acid
CID 82790413
1-(1-trimethylsilylethoxymethyl)benzimidazol-5-amine
CID 18375891
1-(2-cyclopentylethyl)benzimidazol-5-amine
CID 62507553
1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
CID 55080035
1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
CID 82875518
1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 142258213

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)benzimidazol-5-amine?
The IUPAC name of 1-(7-methyloctyl)benzimidazol-5-amine (CID 107818163) is 1-(7-methyloctyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(7-methyloctyl)benzimidazol-5-amine?
The canonical SMILES for 1-(7-methyloctyl)benzimidazol-5-amine is CC(C)CCCCCCn1cnc2cc(N)ccc21.
What is the InChIKey of 1-(7-methyloctyl)benzimidazol-5-amine?
The InChIKey is RBIRZWYVHKDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)7-5-3-4-6-10-19-12-18-15-11-14(17)8-9-16(15)19/h8-9,11-13H,3-7,10,17H2,1-2H3.
What are the key properties of 1-(7-methyloctyl)benzimidazol-5-amine?
1-(7-methyloctyl)benzimidazol-5-amine has a molecular weight of 259.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)benzimidazol-5-amine is sourced from PubChem (CID 107818163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).