(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide

C16H24N4O2 — CID 87750186

IUPAC(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
SMILESCCCCCn1c(CC[C@H](N)C(=O)NO)nc2ccccc21
InChIInChI=1S/C16H24N4O2/c1-2-3-6-11-20-14-8-5-4-7-13(14)18-15(20)10-9-12(17)16(21)19-22/h4-5,7-8,12,22H,2-3,6,9-11,17H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyBBCBKLPLHGBNBD-LBPRGKRZSA-N
MW304.39 g/mol
LogP1.99
Rot. Bonds8

About (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide

(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide (PubChem CID 87750186) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
PubChem CID87750186
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
SMILESCCCCCn1c(CC[C@H](N)C(=O)NO)nc2ccccc21
InChIInChI=1S/C16H24N4O2/c1-2-3-6-11-20-14-8-5-4-7-13(14)18-15(20)10-9-12(17)16(21)19-22/h4-5,7-8,12,22H,2-3,6,9-11,17H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyBBCBKLPLHGBNBD-LBPRGKRZSA-N
XLogP1.99
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
CID 23148423
(2S)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87751286
(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87749531
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide (CID 87750186) is (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide is CCCCCn1c(CC[C@H](N)C(=O)NO)nc2ccccc21.
What is the InChIKey of (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide?
The InChIKey is BBCBKLPLHGBNBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-3-6-11-20-14-8-5-4-7-13(14)18-15(20)10-9-12(17)16(21)19-22/h4-5,7-8,12,22H,2-3,6,9-11,17H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide?
(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide has a molecular weight of 304.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 87750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).