N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide

C24H28N4O3 — CID 10273657

IUPACN-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C24H28N4O3/c1-15(2)22-25-20-7-3-4-9-21(20)28(22)14-16-10-12-17(13-11-16)23(29)26-19-8-5-6-18(19)24(30)27-31/h3-4,7,9-13,15,18-19,31H,5-6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyXNUPVUIWOKTWNU-RBUKOAKNSA-N
MW420.51 g/mol
LogP3.61
Rot. Bonds6

About N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide

N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide (PubChem CID 10273657) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide
PubChem CID10273657
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C24H28N4O3/c1-15(2)22-25-20-7-3-4-9-21(20)28(22)14-16-10-12-17(13-11-16)23(29)26-19-8-5-6-18(19)24(30)27-31/h3-4,7,9-13,15,18-19,31H,5-6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyXNUPVUIWOKTWNU-RBUKOAKNSA-N
XLogP3.61
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide (CID 10273657) is N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide is CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide?
The InChIKey is XNUPVUIWOKTWNU-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15(2)22-25-20-7-3-4-9-21(20)28(22)14-16-10-12-17(13-11-16)23(29)26-19-8-5-6-18(19)24(30)27-31/h3-4,7,9-13,15,18-19,31H,5-6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide?
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 10273657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).