1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine

C16H26N4 — CID 82311440

IUPAC1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine
SMILESCCC(N)Cn1c(C(CC)N(C)C)nc2ccccc21
InChIInChI=1S/C16H26N4/c1-5-12(17)11-20-15-10-8-7-9-13(15)18-16(20)14(6-2)19(3)4/h7-10,12,14H,5-6,11,17H2,1-4H3
InChIKeyKQMPPTKQNPAFHU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine

1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine (PubChem CID 82311440) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine
PubChem CID82311440
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine
SMILESCCC(N)Cn1c(C(CC)N(C)C)nc2ccccc21
InChIInChI=1S/C16H26N4/c1-5-12(17)11-20-15-10-8-7-9-13(15)18-16(20)14(6-2)19(3)4/h7-10,12,14H,5-6,11,17H2,1-4H3
InChIKeyKQMPPTKQNPAFHU-UHFFFAOYSA-N
XLogP2.79
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
CID 82311438
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
CID 82311441
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
CID 82311869
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine?
The IUPAC name of 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine (CID 82311440) is 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine?
The canonical SMILES for 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine is CCC(N)Cn1c(C(CC)N(C)C)nc2ccccc21.
What is the InChIKey of 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine?
The InChIKey is KQMPPTKQNPAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-12(17)11-20-15-10-8-7-9-13(15)18-16(20)14(6-2)19(3)4/h7-10,12,14H,5-6,11,17H2,1-4H3.
What are the key properties of 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine?
1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine is sourced from PubChem (CID 82311440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).