1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea

C16H20N4O2 — CID 95760441

IUPAC1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)18-16(21)19-14-3-2-4-15(14)20-10-9-17-11-20/h5-11,14-15H,2-4H2,1H3,(H2,18,19,21)/t14-,15-/m0/s1
InChIKeyRTGSTIDKYXYQKJ-GJZGRUSLSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds4

About 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea

1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea (PubChem CID 95760441) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
PubChem CID95760441
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)18-16(21)19-14-3-2-4-15(14)20-10-9-17-11-20/h5-11,14-15H,2-4H2,1H3,(H2,18,19,21)/t14-,15-/m0/s1
InChIKeyRTGSTIDKYXYQKJ-GJZGRUSLSA-N
XLogP2.81
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301
1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
CID 95760446
1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea
CID 96529213
N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 97003008
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
CID 47139552
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734304
1-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 1461544
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
1,3-bis(4-methoxyphenyl)urea
CID 139045428
5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
CID 43701618
2-amino-N-(2-imidazol-1-ylcyclopentyl)-2-methylpentanamide
CID 60847019

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea (CID 95760441) is 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)cc1.
What is the InChIKey of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea?
The InChIKey is RTGSTIDKYXYQKJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)18-16(21)19-14-3-2-4-15(14)20-10-9-17-11-20/h5-11,14-15H,2-4H2,1H3,(H2,18,19,21)/t14-,15-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea?
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea has a molecular weight of 300.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 95760441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).