(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine

C14H19N3 — CID 67213867

IUPAC(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H19N3/c1-2-3-9-12(15)14-16-10-13(17-14)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyGTBCECMNFXQINR-LBPRGKRZSA-N
MW229.33 g/mol
LogP3.27
Rot. Bonds5

About (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine

(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine (PubChem CID 67213867) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
PubChem CID67213867
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H19N3/c1-2-3-9-12(15)14-16-10-13(17-14)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyGTBCECMNFXQINR-LBPRGKRZSA-N
XLogP3.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-[5-(furan-2-yl)-1H-imidazol-2-yl]pentan-1-amine
CID 60846811
(1R)-3-phenyl-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-1-amine;hydrochloride
CID 159178971
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
CID 63990889
(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide
CID 11688810
(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214777
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650551
(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
CID 67214897
(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine?
The IUPAC name of (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine (CID 67213867) is (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine is CCCC[C@H](N)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine?
The InChIKey is GTBCECMNFXQINR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-9-12(15)14-16-10-13(17-14)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9,15H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine?
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 67213867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).