N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine

C16H25N3 — CID 62562987

IUPACN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
SMILESCCCCNCC(C)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C16H25N3/c1-5-6-7-17-10-14(4)19-11-18-15-8-12(2)13(3)9-16(15)19/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyBUJNKGIDJGVOOG-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine (PubChem CID 62562987) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
PubChem CID62562987
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
SMILESCCCCNCC(C)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C16H25N3/c1-5-6-7-17-10-14(4)19-11-18-15-8-12(2)13(3)9-16(15)19/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyBUJNKGIDJGVOOG-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.60
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

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
CID 62447956
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62562633
4-(5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62449256
2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227498
2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
CID 83044057
2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 62564183
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
CID 63502282
3-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxybutanimidamide
CID 54945692
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine?
The IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine (CID 62562987) is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine?
The canonical SMILES for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine is CCCCNCC(C)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine?
The InChIKey is BUJNKGIDJGVOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-6-7-17-10-14(4)19-11-18-15-8-12(2)13(3)9-16(15)19/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine?
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 62562987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).