1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea

C22H27N5O2 — CID 52503052

IUPAC1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H27N5O2/c1-16(21-23-14-18(26-21)17-8-3-2-4-9-17)25-22(28)24-15-19(20-10-7-13-29-20)27-11-5-6-12-27/h2-4,7-10,13-14,16,19H,5-6,11-12,15H2,1H3,(H,23,26)(H2,24,25,28)/t16-,19-/m0/s1
InChIKeyLAUOOYAAWLVQRB-LPHOPBHVSA-N
MW393.49 g/mol
LogP3.87
Rot. Bonds7

About 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (PubChem CID 52503052) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
PubChem CID52503052
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H27N5O2/c1-16(21-23-14-18(26-21)17-8-3-2-4-9-17)25-22(28)24-15-19(20-10-7-13-29-20)27-11-5-6-12-27/h2-4,7-10,13-14,16,19H,5-6,11-12,15H2,1H3,(H,23,26)(H2,24,25,28)/t16-,19-/m0/s1
InChIKeyLAUOOYAAWLVQRB-LPHOPBHVSA-N
XLogP3.87
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94153994
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CID 97089880
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146032
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146031
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 41037776
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 71931332
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001979
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 34668497

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (CID 52503052) is 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The InChIKey is LAUOOYAAWLVQRB-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16(21-23-14-18(26-21)17-8-3-2-4-9-17)25-22(28)24-15-19(20-10-7-13-29-20)27-11-5-6-12-27/h2-4,7-10,13-14,16,19H,5-6,11-12,15H2,1H3,(H,23,26)(H2,24,25,28)/t16-,19-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea has a molecular weight of 393.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is sourced from PubChem (CID 52503052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).