1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine

C17H27N3 — CID 82333047

IUPAC1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
SMILESCCCCCn1c(C(N)CCC)nc2cc(C)ccc21
InChIInChI=1S/C17H27N3/c1-4-6-7-11-20-16-10-9-13(3)12-15(16)19-17(20)14(18)8-5-2/h9-10,12,14H,4-8,11,18H2,1-3H3
InChIKeyIRUILZCJVJAUGT-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.33
Rot. Bonds7

About 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine

1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine (PubChem CID 82333047) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
PubChem CID82333047
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
SMILESCCCCCn1c(C(N)CCC)nc2cc(C)ccc21
InChIInChI=1S/C17H27N3/c1-4-6-7-11-20-16-10-9-13(3)12-15(16)19-17(20)14(18)8-5-2/h9-10,12,14H,4-8,11,18H2,1-3H3
InChIKeyIRUILZCJVJAUGT-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333098
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine (CID 82333047) is 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine is CCCCCn1c(C(N)CCC)nc2cc(C)ccc21.
What is the InChIKey of 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is IRUILZCJVJAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-6-7-11-20-16-10-9-13(3)12-15(16)19-17(20)14(18)8-5-2/h9-10,12,14H,4-8,11,18H2,1-3H3.
What are the key properties of 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 82333047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).