N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride

C17H30Cl2N4O — CID 154898999

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride
SMILESCCC[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-2-4-15-10-21(9-14-5-3-6-14)11-16(15)19-17(22)12-20-8-7-18-13-20;;/h7-8,13-16H,2-6,9-12H2,1H3,(H,19,22);2*1H/t15-,16-;;/m0../s1
InChIKeyASONDVONOIMBKL-SXBSVMRRSA-N
MW377.36 g/mol
LogP2.74
Rot. Bonds7

About N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride

N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride (PubChem CID 154898999) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride
PubChem CID154898999
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride
SMILESCCC[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-2-4-15-10-21(9-14-5-3-6-14)11-16(15)19-17(22)12-20-8-7-18-13-20;;/h7-8,13-16H,2-6,9-12H2,1H3,(H,19,22);2*1H/t15-,16-;;/m0../s1
InChIKeyASONDVONOIMBKL-SXBSVMRRSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 133124489
N-[(3S,4R)-1-(2-imidazol-1-ylacetyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70739288
N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
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N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
CID 17416415
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661
2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide
CID 72911123
6-cyclohexyl-1-imidazol-1-ylhexan-2-one
CID 57292403
tert-butyl 4-(2-imidazol-1-ylethylamino)-3-propylpiperidine-1-carboxylate
CID 154766352
2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 91835587
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide
CID 56748119
1-(cyclooctylmethyl)imidazole
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride (CID 154898999) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride is CCC[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)Cn1ccnc1.Cl.Cl.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride?
The InChIKey is ASONDVONOIMBKL-SXBSVMRRSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-2-4-15-10-21(9-14-5-3-6-14)11-16(15)19-17(22)12-20-8-7-18-13-20;;/h7-8,13-16H,2-6,9-12H2,1H3,(H,19,22);2*1H/t15-,16-;;/m0../s1.
What are the key properties of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride is sourced from PubChem (CID 154898999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).