1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea

C15H22N4O — CID 146092570

IUPAC1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)CNC2)NCC1CCCN1
InChIInChI=1S/C15H22N4O/c20-15(19-10-14-2-1-5-17-14)18-7-11-3-4-12-8-16-9-13(12)6-11/h3-4,6,14,16-17H,1-2,5,7-10H2,(H2,18,19,20)
InChIKeyABPRUEIWAOKCEQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.84
Rot. Bonds4

About 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea

1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 146092570) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID146092570
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)CNC2)NCC1CCCN1
InChIInChI=1S/C15H22N4O/c20-15(19-10-14-2-1-5-17-14)18-7-11-3-4-12-8-16-9-13(12)6-11/h3-4,6,14,16-17H,1-2,5,7-10H2,(H2,18,19,20)
InChIKeyABPRUEIWAOKCEQ-UHFFFAOYSA-N
XLogP0.84
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea;formic acid
CID 154908582
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
CID 105062462
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 167947615
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
CID 103998248
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea (CID 146092570) is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea is O=C(NCc1ccc2c(c1)CNC2)NCC1CCCN1.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is ABPRUEIWAOKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(19-10-14-2-1-5-17-14)18-7-11-3-4-12-8-16-9-13(12)6-11/h3-4,6,14,16-17H,1-2,5,7-10H2,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 274.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 146092570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).