N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine

C15H21N3 — CID 79985350

IUPACN-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-2-9-16-10-8-15-12-18(13-17-15)11-14-6-4-3-5-7-14/h3-7,12-13,16H,2,8-11H2,1H3
InChIKeyQGGPLOXALCQJMB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine

N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine (PubChem CID 79985350) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
PubChem CID79985350
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-2-9-16-10-8-15-12-18(13-17-15)11-14-6-4-3-5-7-14/h3-7,12-13,16H,2,8-11H2,1H3
InChIKeyQGGPLOXALCQJMB-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985929
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985027
N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 79985012
N-[2-[1-[(2,4-dichlorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79986003
N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309
N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 103049573
N-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79971964
N-[2-[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 102619765
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
N-[2-[1-[(3-bromothiophen-2-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79984951
N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79971788
(1-benzylimidazol-4-yl)methanamine
CID 82281097

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine (CID 79985350) is N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine is CCCNCCc1cn(Cc2ccccc2)cn1.
What is the InChIKey of N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QGGPLOXALCQJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-9-16-10-8-15-12-18(13-17-15)11-14-6-4-3-5-7-14/h3-7,12-13,16H,2,8-11H2,1H3.
What are the key properties of N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine?
N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79985350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).