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

C13H17N3 — CID 91213426

IUPACN-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCN(CCc1ncc[nH]1)Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-16(10-7-13-14-8-9-15-13)11-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,14,15)
InChIKeyGIWDEECUSIILDS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.08
Rot. Bonds5

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

N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 91213426) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID91213426
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCN(CCc1ncc[nH]1)Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-16(10-7-13-14-8-9-15-13)11-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,14,15)
InChIKeyGIWDEECUSIILDS-UHFFFAOYSA-N
XLogP2.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
CID 82407276
2-(2-phenylethyl)-1H-imidazole;hydrochloride
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N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
CID 6603723
N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
CID 19938699
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56909102
acetonitrile;2-benzyl-1H-imidazole
CID 23033706
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine (CID 91213426) is N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine is CN(CCc1ncc[nH]1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is GIWDEECUSIILDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(10-7-13-14-8-9-15-13)11-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,14,15).
What are the key properties of N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine?
N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 91213426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).