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

C18H24N4O — CID 86992760

IUPAC1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
SMILESCc1nccn1Cc1cccc(CNC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H24N4O/c1-14-19-9-10-22(14)13-16-6-4-5-15(11-16)12-20-18(23)21-17-7-2-3-8-17/h4-6,9-11,17H,2-3,7-8,12-13H2,1H3,(H2,20,21,23)
InChIKeySWGIPZCAUJTMKN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.98
Rot. Bonds5

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

1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea (PubChem CID 86992760) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
PubChem CID86992760
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
SMILESCc1nccn1Cc1cccc(CNC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H24N4O/c1-14-19-9-10-22(14)13-16-6-4-5-15(11-16)12-20-18(23)21-17-7-2-3-8-17/h4-6,9-11,17H,2-3,7-8,12-13H2,1H3,(H2,20,21,23)
InChIKeySWGIPZCAUJTMKN-UHFFFAOYSA-N
XLogP2.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 71868561
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 110896104
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
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 43917632
1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890661
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-[(2,4-dimethoxyphenyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87039141
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
4,5-dichloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 86983488

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea (CID 86992760) is 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea is Cc1nccn1Cc1cccc(CNC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is SWGIPZCAUJTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-19-9-10-22(14)13-16-6-4-5-15(11-16)12-20-18(23)21-17-7-2-3-8-17/h4-6,9-11,17H,2-3,7-8,12-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea?
1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 312.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 86992760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).