2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride

C18H26Cl2N4O — CID 119898678

IUPAC2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C18H24N4O.2ClH/c23-18(14-19-12-16-6-7-16)21-13-17-20-9-11-22(17)10-8-15-4-2-1-3-5-15;;/h1-5,9,11,16,19H,6-8,10,12-14H2,(H,21,23);2*1H
InChIKeyMOMTVBGDYJXKLX-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.59
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride (PubChem CID 119898678) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
PubChem CID119898678
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C18H24N4O.2ClH/c23-18(14-19-12-16-6-7-16)21-13-17-20-9-11-22(17)10-8-15-4-2-1-3-5-15;;/h1-5,9,11,16,19H,6-8,10,12-14H2,(H,21,23);2*1H
InChIKeyMOMTVBGDYJXKLX-UHFFFAOYSA-N
XLogP2.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
CID 86807593

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride (CID 119898678) is 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)NCc1nccn1CCc1ccccc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The InChIKey is MOMTVBGDYJXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c23-18(14-19-12-16-6-7-16)21-13-17-20-9-11-22(17)10-8-15-4-2-1-3-5-15;;/h1-5,9,11,16,19H,6-8,10,12-14H2,(H,21,23);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119898678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).