N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide

C19H25N3O — CID 124732707

IUPACN-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cnc[nH]1)[C@@H]1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-22(19(23)11-10-17-13-20-14-21-17)18-9-5-8-16(18)12-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18H,5,8-12H2,1H3,(H,20,21)/t16-,18-/m1/s1
InChIKeyJWFOWKSFQUNBLU-SJLPKXTDSA-N
MW311.43 g/mol
LogP3.21
Rot. Bonds6

About N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide

N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide (PubChem CID 124732707) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
PubChem CID124732707
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cnc[nH]1)[C@@H]1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-22(19(23)11-10-17-13-20-14-21-17)18-9-5-8-16(18)12-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18H,5,8-12H2,1H3,(H,20,21)/t16-,18-/m1/s1
InChIKeyJWFOWKSFQUNBLU-SJLPKXTDSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-benzylcyclopentyl)-N-methyl-2-phenylacetamide;hydrochloride
CID 91647289
1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 124621445
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
CID 23368261
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-N-methyl-3-phenylpropanamide
CID 110143784
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
CID 70031264
2-amino-N-benzyl-N-(2-benzylcyclohexyl)acetamide
CID 70031263
(3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione;2,2,2-trifluoroacetic acid
CID 172898586
ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
CID 176952178
2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 174591742
1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
CID 138999835

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
The IUPAC name of N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide (CID 124732707) is N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide is CN(C(=O)CCc1cnc[nH]1)[C@@H]1CCC[C@@H]1Cc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
The InChIKey is JWFOWKSFQUNBLU-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22(19(23)11-10-17-13-20-14-21-17)18-9-5-8-16(18)12-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18H,5,8-12H2,1H3,(H,20,21)/t16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-benzylcyclopentyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide is sourced from PubChem (CID 124732707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).