5-(1-ethylbenzimidazol-5-yl)pentan-1-amine

C14H21N3 — CID 98783919

IUPAC5-(1-ethylbenzimidazol-5-yl)pentan-1-amine
SMILESCCn1cnc2cc(CCCCCN)ccc21
InChIInChI=1S/C14H21N3/c1-2-17-11-16-13-10-12(7-8-14(13)17)6-4-3-5-9-15/h7-8,10-11H,2-6,9,15H2,1H3
InChIKeyNMBFNMGCZROKTJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.73
Rot. Bonds6

About 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine

5-(1-ethylbenzimidazol-5-yl)pentan-1-amine (PubChem CID 98783919) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-5-yl)pentan-1-amine
PubChem CID98783919
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-(1-ethylbenzimidazol-5-yl)pentan-1-amine
SMILESCCn1cnc2cc(CCCCCN)ccc21
InChIInChI=1S/C14H21N3/c1-2-17-11-16-13-10-12(7-8-14(13)17)6-4-3-5-9-15/h7-8,10-11H,2-6,9,15H2,1H3
InChIKeyNMBFNMGCZROKTJ-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.73
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

2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
CID 82491787
1-(1-ethylbenzimidazol-5-yl)-N-methylmethanamine
CID 82490893
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
CID 82492930
1-ethyl-5-isocyanobenzimidazole
CID 140845990
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
3-(1-ethyl-3-methylindol-6-yl)propan-1-amine
CID 117205048
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291
6-(4-propylphenyl)hexan-1-amine
CID 65300510

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine?
The IUPAC name of 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine (CID 98783919) is 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine is CCn1cnc2cc(CCCCCN)ccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine?
The InChIKey is NMBFNMGCZROKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-17-11-16-13-10-12(7-8-14(13)17)6-4-3-5-9-15/h7-8,10-11H,2-6,9,15H2,1H3.
What are the key properties of 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine?
5-(1-ethylbenzimidazol-5-yl)pentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-5-yl)pentan-1-amine is sourced from PubChem (CID 98783919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).