1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride

C14H18ClN3 — CID 138398633

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride
SMILESCCc1cn(CC2=NCCN2)c2ccccc12.Cl
InChIInChI=1S/C14H17N3.ClH/c1-2-11-9-17(10-14-15-7-8-16-14)13-6-4-3-5-12(11)13;/h3-6,9H,2,7-8,10H2,1H3,(H,15,16);1H
InChIKeyLTSAWXQFFWCYHV-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.63
Rot. Bonds3

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride (PubChem CID 138398633) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride
PubChem CID138398633
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride
SMILESCCc1cn(CC2=NCCN2)c2ccccc12.Cl
InChIInChI=1S/C14H17N3.ClH/c1-2-11-9-17(10-14-15-7-8-16-14)13-6-4-3-5-12(11)13;/h3-6,9H,2,7-8,10H2,1H3,(H,15,16);1H
InChIKeyLTSAWXQFFWCYHV-UHFFFAOYSA-N
XLogP2.63
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide
CID 20756758
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide
CID 20756756
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-5-amine
CID 22574067
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
6-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid;N,N-dimethylformamide
CID 174465069
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole
CID 22262905
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 22401591
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66397796

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride (CID 138398633) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride is CCc1cn(CC2=NCCN2)c2ccccc12.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride?
The InChIKey is LTSAWXQFFWCYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-2-11-9-17(10-14-15-7-8-16-14)13-6-4-3-5-12(11)13;/h3-6,9H,2,7-8,10H2,1H3,(H,15,16);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride is sourced from PubChem (CID 138398633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).