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

C24H26N4O3 — CID 10223774

IUPAC4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NO)c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N4O3/c29-23(26-19-6-3-4-18(19)24(30)27-31)17-10-8-15(9-11-17)14-28-21-7-2-1-5-20(21)25-22(28)16-12-13-16/h1-2,5,7-11,16,18-19,31H,3-4,6,12-14H2,(H,26,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyFXFZIKOEGYQWSD-RBUKOAKNSA-N
MW418.50 g/mol
LogP3.37
Rot. Bonds6

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

4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide (PubChem CID 10223774) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide
PubChem CID10223774
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NO)c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C24H26N4O3/c29-23(26-19-6-3-4-18(19)24(30)27-31)17-10-8-15(9-11-17)14-28-21-7-2-1-5-20(21)25-22(28)16-12-13-16/h1-2,5,7-11,16,18-19,31H,3-4,6,12-14H2,(H,26,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyFXFZIKOEGYQWSD-RBUKOAKNSA-N
XLogP3.37
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.37
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 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide?
The IUPAC name of 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide (CID 10223774) is 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide?
The canonical SMILES for 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide is O=C(N[C@@H]1CCC[C@@H]1C(=O)NO)c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide?
The InChIKey is FXFZIKOEGYQWSD-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(26-19-6-3-4-18(19)24(30)27-31)17-10-8-15(9-11-17)14-28-21-7-2-1-5-20(21)25-22(28)16-12-13-16/h1-2,5,7-11,16,18-19,31H,3-4,6,12-14H2,(H,26,29)(H,27,30)/t18-,19+/m0/s1.
What are the key properties of 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide?
4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropylbenzimidazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide is sourced from PubChem (CID 10223774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).