1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine

C16H23N3 — CID 43650594

IUPAC1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine
SMILESCCCc1[nH]c(C(N)Cc2ccccc2)nc1CC
InChIInChI=1S/C16H23N3/c1-3-8-15-14(4-2)18-16(19-15)13(17)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11,17H2,1-2H3,(H,18,19)
InChIKeyWCCKFFKKYLECOM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.17
Rot. Bonds6

About 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine

1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine (PubChem CID 43650594) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine
PubChem CID43650594
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine
SMILESCCCc1[nH]c(C(N)Cc2ccccc2)nc1CC
InChIInChI=1S/C16H23N3/c1-3-8-15-14(4-2)18-16(19-15)13(17)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11,17H2,1-2H3,(H,18,19)
InChIKeyWCCKFFKKYLECOM-UHFFFAOYSA-N
XLogP3.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethyl-5-propyl-1H-imidazol-2-yl)-phenylmethanamine
CID 43651576
1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine
CID 115000319
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine
CID 114998039
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine
CID 82001742
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
(5-ethyl-4-phenyl-1H-imidazol-2-yl)-phenylmethanamine
CID 43651569
2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-phenylethanamine
CID 114990789
5-benzyl-4-ethyl-1H-imidazole-2-carboxamide
CID 146641403
1-[5-chloro-4-(2-fluoro-4-pyridinyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 77201526
2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902728

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine (CID 43650594) is 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine is CCCc1[nH]c(C(N)Cc2ccccc2)nc1CC.
What is the InChIKey of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine?
The InChIKey is WCCKFFKKYLECOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-8-15-14(4-2)18-16(19-15)13(17)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine?
1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 43650594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).