3-(benzimidazol-1-yl)heptan-4-amine

C14H21N3 — CID 43184507

IUPAC3-(benzimidazol-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)n1cnc2ccccc21
InChIInChI=1S/C14H21N3/c1-3-7-11(15)13(4-2)17-10-16-12-8-5-6-9-14(12)17/h5-6,8-11,13H,3-4,7,15H2,1-2H3
InChIKeyDBIRHJAGITXTBU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.11
Rot. Bonds5

About 3-(benzimidazol-1-yl)heptan-4-amine

3-(benzimidazol-1-yl)heptan-4-amine (PubChem CID 43184507) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)heptan-4-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)heptan-4-amine
PubChem CID43184507
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(benzimidazol-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)n1cnc2ccccc21
InChIInChI=1S/C14H21N3/c1-3-7-11(15)13(4-2)17-10-16-12-8-5-6-9-14(12)17/h5-6,8-11,13H,3-4,7,15H2,1-2H3
InChIKeyDBIRHJAGITXTBU-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)pentan-3-amine
CID 16785487
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
1-octan-3-ylbenzimidazole
CID 57027329
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine
CID 67626107
1-[1-(2-methylphenyl)butan-2-yl]benzimidazole
CID 173454570
1-(benzimidazol-1-yl)propylphosphonic acid
CID 173432124
3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol
CID 114357743
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(dichloromethyl)benzimidazole
CID 69189311
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
1-(2-methylpentan-3-yl)benzimidazol-5-amine
CID 62506261

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)heptan-4-amine?
The IUPAC name of 3-(benzimidazol-1-yl)heptan-4-amine (CID 43184507) is 3-(benzimidazol-1-yl)heptan-4-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)heptan-4-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)heptan-4-amine is CCCC(N)C(CC)n1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)heptan-4-amine?
The InChIKey is DBIRHJAGITXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-7-11(15)13(4-2)17-10-16-12-8-5-6-9-14(12)17/h5-6,8-11,13H,3-4,7,15H2,1-2H3.
What are the key properties of 3-(benzimidazol-1-yl)heptan-4-amine?
3-(benzimidazol-1-yl)heptan-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)heptan-4-amine is sourced from PubChem (CID 43184507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).