3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea

C20H26N4O2 — CID 118771978

IUPAC3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1CN(C(=O)Nc1cccc(OC2CCCC2)c1)C1CC1
InChIInChI=1S/C20H26N4O2/c1-23-12-11-21-19(23)14-24(16-9-10-16)20(25)22-15-5-4-8-18(13-15)26-17-6-2-3-7-17/h4-5,8,11-13,16-17H,2-3,6-7,9-10,14H2,1H3,(H,22,25)
InChIKeyAVEWDGQNZVOOKS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.94
Rot. Bonds6

About 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea

3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 118771978) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID118771978
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1CN(C(=O)Nc1cccc(OC2CCCC2)c1)C1CC1
InChIInChI=1S/C20H26N4O2/c1-23-12-11-21-19(23)14-24(16-9-10-16)20(25)22-15-5-4-8-18(13-15)26-17-6-2-3-7-17/h4-5,8,11-13,16-17H,2-3,6-7,9-10,14H2,1H3,(H,22,25)
InChIKeyAVEWDGQNZVOOKS-UHFFFAOYSA-N
XLogP3.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 72870768
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90569999
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057206
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
2-amino-N-(3-cyclopentyloxyphenyl)propanamide
CID 82044663
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea (CID 118771978) is 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea is Cn1ccnc1CN(C(=O)Nc1cccc(OC2CCCC2)c1)C1CC1.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is AVEWDGQNZVOOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-12-11-21-19(23)14-24(16-9-10-16)20(25)22-15-5-4-8-18(13-15)26-17-6-2-3-7-17/h4-5,8,11-13,16-17H,2-3,6-7,9-10,14H2,1H3,(H,22,25).
What are the key properties of 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea?
3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 354.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 118771978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).