N-benzyl-1-(1H-imidazol-2-yl)ethanamine

C12H15N3 — CID 22398694

IUPACN-benzyl-1-(1H-imidazol-2-yl)ethanamine
SMILESCC(NCc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C12H15N3/c1-10(12-13-7-8-14-12)15-9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3,(H,13,14)
InChIKeyWZKUWQXJNOPQCW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.26
Rot. Bonds4

About N-benzyl-1-(1H-imidazol-2-yl)ethanamine

N-benzyl-1-(1H-imidazol-2-yl)ethanamine (PubChem CID 22398694) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-benzyl-1-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1H-imidazol-2-yl)ethanamine
PubChem CID22398694
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-benzyl-1-(1H-imidazol-2-yl)ethanamine
SMILESCC(NCc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C12H15N3/c1-10(12-13-7-8-14-12)15-9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3,(H,13,14)
InChIKeyWZKUWQXJNOPQCW-UHFFFAOYSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422
1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038994
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119036262
2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
CID 173197024
1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 53405687
(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
CID 93389562
2-(1-chloro-2-phenylethyl)-1H-imidazole
CID 23043572
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 141069317
N-benzyl-1H-imidazol-2-amine
CID 12847936
N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442813
2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
CID 114385222

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of N-benzyl-1-(1H-imidazol-2-yl)ethanamine (CID 22398694) is N-benzyl-1-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(1H-imidazol-2-yl)ethanamine is CC(NCc1ccccc1)c1ncc[nH]1.
What is the InChIKey of N-benzyl-1-(1H-imidazol-2-yl)ethanamine?
The InChIKey is WZKUWQXJNOPQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(12-13-7-8-14-12)15-9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3,(H,13,14).
What are the key properties of N-benzyl-1-(1H-imidazol-2-yl)ethanamine?
N-benzyl-1-(1H-imidazol-2-yl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 22398694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).