cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone

C20H26N4O — CID 99620500

IUPACcyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1
InChIInChI=1S/C20H26N4O/c25-20(16-8-4-5-9-16)24-13-10-17(14-24)23-18(19-21-11-12-22-19)15-6-2-1-3-7-15/h1-3,6-7,11-12,16-18,23H,4-5,8-10,13-14H2,(H,21,22)/t17-,18+/m1/s1
InChIKeyDAQYMCUVPWFQFG-MSOLQXFVSA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds5

About cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone

cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone (PubChem CID 99620500) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone
PubChem CID99620500
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Namecyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1
InChIInChI=1S/C20H26N4O/c25-20(16-8-4-5-9-16)24-13-10-17(14-24)23-18(19-21-11-12-22-19)15-6-2-1-3-7-15/h1-3,6-7,11-12,16-18,23H,4-5,8-10,13-14H2,(H,21,22)/t17-,18+/m1/s1
InChIKeyDAQYMCUVPWFQFG-MSOLQXFVSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
CID 99620171
N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine
CID 154753993
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
CID 97160771
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 167932322
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone (CID 99620500) is cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CC[C@@H](N[C@@H](c2ccccc2)c2ncc[nH]2)C1.
What is the InChIKey of cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is DAQYMCUVPWFQFG-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(16-8-4-5-9-16)24-13-10-17(14-24)23-18(19-21-11-12-22-19)15-6-2-1-3-7-15/h1-3,6-7,11-12,16-18,23H,4-5,8-10,13-14H2,(H,21,22)/t17-,18+/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99620500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).