1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea

C19H26N4O2 — CID 71868561

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
SMILESCc1nccn1Cc1cccc(CNC(=O)NCC2CCCC2O)c1
InChIInChI=1S/C19H26N4O2/c1-14-20-8-9-23(14)13-16-5-2-4-15(10-16)11-21-19(25)22-12-17-6-3-7-18(17)24/h2,4-5,8-10,17-18,24H,3,6-7,11-13H2,1H3,(H2,21,22,25)
InChIKeyJMIMAIRESHWCFV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.20
Rot. Bonds6

About 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea

1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea (PubChem CID 71868561) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
PubChem CID71868561
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
SMILESCc1nccn1Cc1cccc(CNC(=O)NCC2CCCC2O)c1
InChIInChI=1S/C19H26N4O2/c1-14-20-8-9-23(14)13-16-5-2-4-15(10-16)11-21-19(25)22-12-17-6-3-7-18(17)24/h2,4-5,8-10,17-18,24H,3,6-7,11-13H2,1H3,(H2,21,22,25)
InChIKeyJMIMAIRESHWCFV-UHFFFAOYSA-N
XLogP2.20
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86992760
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 110896104
1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890661
1-[(2,4-dimethoxyphenyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87039141
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 43917632
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine;hydroiodide
CID 111620279
N'-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441768
1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917470
1-[1-(2-chlorophenyl)ethyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86993363
1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917722
1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917812
N',3,3-trimethyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111740066

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea (CID 71868561) is 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea is Cc1nccn1Cc1cccc(CNC(=O)NCC2CCCC2O)c1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is JMIMAIRESHWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-20-8-9-23(14)13-16-5-2-4-15(10-16)11-21-19(25)22-12-17-6-3-7-18(17)24/h2,4-5,8-10,17-18,24H,3,6-7,11-13H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 71868561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).