(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide

C23H34N4O3 — CID 90746253

IUPAC(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCc1ccc2nc(C(NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)[nH]c2c1
InChIInChI=1S/C23H34N4O3/c1-15-9-10-18-19(11-15)25-21(24-18)20(23(2,3)4)26-22(29)17(13-27(30)14-28)12-16-7-5-6-8-16/h9-11,14,16-17,20,30H,5-8,12-13H2,1-4H3,(H,24,25)(H,26,29)/t17-,20?/m1/s1
InChIKeyLNVNWAXDRBBAMO-DIAVIDTQSA-N
MW414.55 g/mol
LogP4.12
Rot. Bonds8

About (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 90746253) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID90746253
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCc1ccc2nc(C(NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)[nH]c2c1
InChIInChI=1S/C23H34N4O3/c1-15-9-10-18-19(11-15)25-21(24-18)20(23(2,3)4)26-22(29)17(13-27(30)14-28)12-16-7-5-6-8-16/h9-11,14,16-17,20,30H,5-8,12-13H2,1-4H3,(H,24,25)(H,26,29)/t17-,20?/m1/s1
InChIKeyLNVNWAXDRBBAMO-DIAVIDTQSA-N
XLogP4.12
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(cyclopentylmethyl)-N-[(1S)-1-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-3-[formyl(hydroxy)amino]propanamide
CID 10180299
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 21082311
(2R)-2-(cyclopentylmethyl)-N-[(1S)-1-[6-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-2,2-dimethylpropyl]-3-[formyl(hydroxy)amino]propanamide
CID 87639285
(2R)-N-[(1S)-1-(1H-benzo[f]benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 10161106
(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 21082288
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
CID 90860717
(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
CID 21082304
2-(cyclopentylmethyl)-N-[(1S)-1-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-3-[formyl(hydroxy)amino]propanamide
CID 87639468
N-[(1S)-1-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 87638179
N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide
CID 87264525
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[3-(5-methyl-1,3-dihydroisoindol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220830
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide (CID 90746253) is (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide is Cc1ccc2nc(C(NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)[nH]c2c1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is LNVNWAXDRBBAMO-DIAVIDTQSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-15-9-10-18-19(11-15)25-21(24-18)20(23(2,3)4)26-22(29)17(13-27(30)14-28)12-16-7-5-6-8-16/h9-11,14,16-17,20,30H,5-8,12-13H2,1-4H3,(H,24,25)(H,26,29)/t17-,20?/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 414.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 90746253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).