4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride

C17H26Cl2N4O2 — CID 120597422

IUPAC4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1nccn1CCc1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-23-15(12-18)11-17(22)20-13-16-19-8-10-21(16)9-7-14-5-3-2-4-6-14;;/h2-6,8,10,15H,7,9,11-13,18H2,1H3,(H,20,22);2*1H
InChIKeyRCJGKTGBKRZXGU-UHFFFAOYSA-N
MW389.33 g/mol
LogP1.95
Rot. Bonds9

About 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride (PubChem CID 120597422) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
PubChem CID120597422
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1nccn1CCc1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-23-15(12-18)11-17(22)20-13-16-19-8-10-21(16)9-7-14-5-3-2-4-6-14;;/h2-6,8,10,15H,7,9,11-13,18H2,1H3,(H,20,22);2*1H
InChIKeyRCJGKTGBKRZXGU-UHFFFAOYSA-N
XLogP1.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 167906073
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride (CID 120597422) is 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCc1nccn1CCc1ccccc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
The InChIKey is RCJGKTGBKRZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-23-15(12-18)11-17(22)20-13-16-19-8-10-21(16)9-7-14-5-3-2-4-6-14;;/h2-6,8,10,15H,7,9,11-13,18H2,1H3,(H,20,22);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120597422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).