(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide

C19H28N4O2 — CID 87750270

IUPAC(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide
SMILESCc1cc2nc(CC[C@H](N)C(=O)NO)n(C3CCCCC3)c2cc1C
InChIInChI=1S/C19H28N4O2/c1-12-10-16-17(11-13(12)2)23(14-6-4-3-5-7-14)18(21-16)9-8-15(20)19(24)22-25/h10-11,14-15,25H,3-9,20H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyQECJAPIZCKUKCJ-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.92
Rot. Bonds5

About (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide

(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide (PubChem CID 87750270) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide
PubChem CID87750270
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide
SMILESCc1cc2nc(CC[C@H](N)C(=O)NO)n(C3CCCCC3)c2cc1C
InChIInChI=1S/C19H28N4O2/c1-12-10-16-17(11-13(12)2)23(14-6-4-3-5-7-14)18(21-16)9-8-15(20)19(24)22-25/h10-11,14-15,25H,3-9,20H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyQECJAPIZCKUKCJ-HNNXBMFYSA-N
XLogP2.92
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.92
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 (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide?
The IUPAC name of (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide (CID 87750270) is (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide.
What is the SMILES notation for (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide?
The canonical SMILES for (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide is Cc1cc2nc(CC[C@H](N)C(=O)NO)n(C3CCCCC3)c2cc1C.
What is the InChIKey of (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide?
The InChIKey is QECJAPIZCKUKCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12-10-16-17(11-13(12)2)23(14-6-4-3-5-7-14)18(21-16)9-8-15(20)19(24)22-25/h10-11,14-15,25H,3-9,20H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide?
(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide has a molecular weight of 344.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide is sourced from PubChem (CID 87750270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).