1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine

C12H17N3O — CID 60846811

IUPAC1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCCC(N)c1ncc(-c2ccco2)[nH]1
InChIInChI=1S/C12H17N3O/c1-2-3-5-9(13)12-14-8-10(15-12)11-6-4-7-16-11/h4,6-9H,2-3,5,13H2,1H3,(H,14,15)
InChIKeyIGKYIQIXCCAJRS-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.86
Rot. Bonds5

About 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine

1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 60846811) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID60846811
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCCC(N)c1ncc(-c2ccco2)[nH]1
InChIInChI=1S/C12H17N3O/c1-2-3-5-9(13)12-14-8-10(15-12)11-6-4-7-16-11/h4,6-9H,2-3,5,13H2,1H3,(H,14,15)
InChIKeyIGKYIQIXCCAJRS-UHFFFAOYSA-N
XLogP2.86
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine
CID 80544658
1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
CID 63990889
3-[2-(1-aminopentyl)-1H-imidazol-5-yl]benzonitrile
CID 63992522
(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214458
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine
CID 66766168
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650518
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
1-[5-(furan-2-yl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65456829

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine (CID 60846811) is 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine is CCCCC(N)c1ncc(-c2ccco2)[nH]1.
What is the InChIKey of 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is IGKYIQIXCCAJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-3-5-9(13)12-14-8-10(15-12)11-6-4-7-16-11/h4,6-9H,2-3,5,13H2,1H3,(H,14,15).
What are the key properties of 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 60846811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).