2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide

C21H32N4O2 — CID 23148274

IUPAC2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(CCC(NCC2CCCCC2)C(=O)NO)nc2ccccc21
InChIInChI=1S/C21H32N4O2/c1-2-14-25-19-11-7-6-10-17(19)23-20(25)13-12-18(21(26)24-27)22-15-16-8-4-3-5-9-16/h6-7,10-11,16,18,22,27H,2-5,8-9,12-15H2,1H3,(H,24,26)
InChIKeyFELYNDXDCAMDIB-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.42
Rot. Bonds9

About 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide

2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide (PubChem CID 23148274) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide
PubChem CID23148274
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(CCC(NCC2CCCCC2)C(=O)NO)nc2ccccc21
InChIInChI=1S/C21H32N4O2/c1-2-14-25-19-11-7-6-10-17(19)23-20(25)13-12-18(21(26)24-27)22-15-16-8-4-3-5-9-16/h6-7,10-11,16,18,22,27H,2-5,8-9,12-15H2,1H3,(H,24,26)
InChIKeyFELYNDXDCAMDIB-UHFFFAOYSA-N
XLogP3.42
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.42
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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Related Compounds

(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87749531
(2S)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87751286
tert-butyl (2S)-2-cyclohexyl-2-[[1-oxo-1-(phenylmethoxyamino)-4-(1-propylbenzimidazol-2-yl)butan-2-yl]amino]acetate
CID 87750224
(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
CID 87750186
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
benzyl (2S)-2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(1-propylbenzimidazol-2-yl)butanoate
CID 69245863
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988504
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
CID 23148423
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide?
The IUPAC name of 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide (CID 23148274) is 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide?
The canonical SMILES for 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide is CCCn1c(CCC(NCC2CCCCC2)C(=O)NO)nc2ccccc21.
What is the InChIKey of 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide?
The InChIKey is FELYNDXDCAMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-14-25-19-11-7-6-10-17(19)23-20(25)13-12-18(21(26)24-27)22-15-16-8-4-3-5-9-16/h6-7,10-11,16,18,22,27H,2-5,8-9,12-15H2,1H3,(H,24,26).
What are the key properties of 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide?
2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide has a molecular weight of 372.51 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 23148274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).