2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine

C14H21N3 — CID 83044057

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
SMILESCCCC(CN)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C14H21N3/c1-4-5-12(8-15)17-9-16-13-6-10(2)11(3)7-14(13)17/h6-7,9,12H,4-5,8,15H2,1-3H3
InChIKeyZPIWHWHPEFTHTN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.95
Rot. Bonds4

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

2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine (PubChem CID 83044057) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
PubChem CID83044057
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
SMILESCCCC(CN)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C14H21N3/c1-4-5-12(8-15)17-9-16-13-6-10(2)11(3)7-14(13)17/h6-7,9,12H,4-5,8,15H2,1-3H3
InChIKeyZPIWHWHPEFTHTN-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine (CID 83044057) is 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine is CCCC(CN)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine?
The InChIKey is ZPIWHWHPEFTHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-5-12(8-15)17-9-16-13-6-10(2)11(3)7-14(13)17/h6-7,9,12H,4-5,8,15H2,1-3H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine?
2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.95, 4 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)pentan-1-amine is sourced from PubChem (CID 83044057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).