2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine

C16H25N3 — CID 62447956

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C16H25N3/c1-5-7-17-10-14(6-2)19-11-18-15-8-12(3)13(4)9-16(15)19/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyYLNDMHXJNONYEF-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.60
Rot. Bonds6

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine

2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine (PubChem CID 62447956) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
PubChem CID62447956
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C16H25N3/c1-5-7-17-10-14(6-2)19-11-18-15-8-12(3)13(4)9-16(15)19/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyYLNDMHXJNONYEF-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]butan-1-amine
CID 62562987
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
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
CID 62446855
ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate
CID 64660849
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62562633
1-pentan-3-ylbenzimidazole-5-carbaldehyde
CID 176677705
1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62118038
3-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxybutanimidamide
CID 54945692

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine (CID 62447956) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine is CCCNCC(CC)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine?
The InChIKey is YLNDMHXJNONYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-7-17-10-14(6-2)19-11-18-15-8-12(3)13(4)9-16(15)19/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine?
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-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 2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62447956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).