5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine

C14H21N3 — CID 54088930

IUPAC5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine
SMILESCc1ccc2c(c1)=NC(C)(CCCCCN)N=2
InChIInChI=1S/C14H21N3/c1-11-6-7-12-13(10-11)17-14(2,16-12)8-4-3-5-9-15/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyMSMHQXPUQHPCAT-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.48
Rot. Bonds5

About 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine

5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine (PubChem CID 54088930) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine
PubChem CID54088930
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine
SMILESCc1ccc2c(c1)=NC(C)(CCCCCN)N=2
InChIInChI=1S/C14H21N3/c1-11-6-7-12-13(10-11)17-14(2,16-12)8-4-3-5-9-15/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyMSMHQXPUQHPCAT-UHFFFAOYSA-N
XLogP1.48
TPSA50.74 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 ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine (CID 54088930) is 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine is Cc1ccc2c(c1)=NC(C)(CCCCCN)N=2.
What is the InChIKey of 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine?
The InChIKey is MSMHQXPUQHPCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-6-7-12-13(10-11)17-14(2,16-12)8-4-3-5-9-15/h6-7,10H,3-5,8-9,15H2,1-2H3.
What are the key properties of 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine?
5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylbenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 54088930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).