N-(2-phenylethyl)-1H-imidazol-5-amine

C11H13N3 — CID 23213470

IUPACN-(2-phenylethyl)-1H-imidazol-5-amine
SMILESc1ccc(CCNc2cnc[nH]2)cc1
InChIInChI=1S/C11H13N3/c1-2-4-10(5-3-1)6-7-13-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)
InChIKeyOWQDIXVQOJQCDG-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.06
Rot. Bonds4

About N-(2-phenylethyl)-1H-imidazol-5-amine

N-(2-phenylethyl)-1H-imidazol-5-amine (PubChem CID 23213470) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(2-phenylethyl)-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1H-imidazol-5-amine
PubChem CID23213470
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(2-phenylethyl)-1H-imidazol-5-amine
SMILESc1ccc(CCNc2cnc[nH]2)cc1
InChIInChI=1S/C11H13N3/c1-2-4-10(5-3-1)6-7-13-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)
InChIKeyOWQDIXVQOJQCDG-UHFFFAOYSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine
CID 130608000
N-(2,2-dimethylpropyl)-1H-imidazol-5-amine
CID 130635294
N-chloro-2-phenylethanamine
CID 18184165
6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
ethane;N-(2-phenylethyl)aniline
CID 91194556
2-(1H-imidazol-5-yl)ethyl N'-methyl-N-(2-phenylethyl)carbamimidothioate
CID 10062660
5-[(1H-imidazol-5-ylamino)methyl]pyrimidin-2-amine
CID 130693052
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1H-imidazol-5-amine?
The IUPAC name of N-(2-phenylethyl)-1H-imidazol-5-amine (CID 23213470) is N-(2-phenylethyl)-1H-imidazol-5-amine.
What is the SMILES notation for N-(2-phenylethyl)-1H-imidazol-5-amine?
The canonical SMILES for N-(2-phenylethyl)-1H-imidazol-5-amine is c1ccc(CCNc2cnc[nH]2)cc1.
What is the InChIKey of N-(2-phenylethyl)-1H-imidazol-5-amine?
The InChIKey is OWQDIXVQOJQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-10(5-3-1)6-7-13-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14).
What are the key properties of N-(2-phenylethyl)-1H-imidazol-5-amine?
N-(2-phenylethyl)-1H-imidazol-5-amine has a molecular weight of 187.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1H-imidazol-5-amine is sourced from PubChem (CID 23213470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).