N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride

C17H24Cl2N4O — CID 120886699

IUPACN-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C17H22N4O.2ClH/c18-9-11-21(10-8-13-4-2-1-3-5-13)17(22)15-12-19-16(20-15)14-6-7-14;;/h1-5,12,14H,6-11,18H2,(H,19,20);2*1H
InChIKeyFRRPXUPPODJZOR-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.77
Rot. Bonds7

About N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride

N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride (PubChem CID 120886699) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride
PubChem CID120886699
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC NameN-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C17H22N4O.2ClH/c18-9-11-21(10-8-13-4-2-1-3-5-13)17(22)15-12-19-16(20-15)14-6-7-14;;/h1-5,12,14H,6-11,18H2,(H,19,20);2*1H
InChIKeyFRRPXUPPODJZOR-UHFFFAOYSA-N
XLogP2.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
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4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
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CID 120886734
N-(2-aminoethyl)-5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120885477
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride (CID 120886699) is N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1.
What is the InChIKey of N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride?
The InChIKey is FRRPXUPPODJZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c18-9-11-21(10-8-13-4-2-1-3-5-13)17(22)15-12-19-16(20-15)14-6-7-14;;/h1-5,12,14H,6-11,18H2,(H,19,20);2*1H.
What are the key properties of N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride?
N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120886699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).