1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea

C16H17N5O — CID 95760446

IUPAC1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
SMILESN#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)c1
InChIInChI=1S/C16H17N5O/c17-10-12-3-1-4-13(9-12)19-16(22)20-14-5-2-6-15(14)21-8-7-18-11-21/h1,3-4,7-9,11,14-15H,2,5-6H2,(H2,19,20,22)/t14-,15-/m1/s1
InChIKeyZJEJQLCWTGNVRM-HUUCEWRRSA-N
MW295.35 g/mol
LogP2.67
Rot. Bonds3

About 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea

1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea (PubChem CID 95760446) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
PubChem CID95760446
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
SMILESN#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)c1
InChIInChI=1S/C16H17N5O/c17-10-12-3-1-4-13(9-12)19-16(22)20-14-5-2-6-15(14)21-8-7-18-11-21/h1,3-4,7-9,11,14-15H,2,5-6H2,(H2,19,20,22)/t14-,15-/m1/s1
InChIKeyZJEJQLCWTGNVRM-HUUCEWRRSA-N
XLogP2.67
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
CID 95760441
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide
CID 154843025
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea (CID 95760446) is 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea is N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea?
The InChIKey is ZJEJQLCWTGNVRM-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H17N5O/c17-10-12-3-1-4-13(9-12)19-16(22)20-14-5-2-6-15(14)21-8-7-18-11-21/h1,3-4,7-9,11,14-15H,2,5-6H2,(H2,19,20,22)/t14-,15-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea?
1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea has a molecular weight of 295.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea is sourced from PubChem (CID 95760446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).