(2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide

C20H24N4O2 — CID 87751097

IUPAC(2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide
SMILESCc1ccc(-n2c(CC[C@@H](N)C(=O)NO)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C20H24N4O2/c1-12-4-6-15(7-5-12)24-18-11-14(3)13(2)10-17(18)22-19(24)9-8-16(21)20(25)23-26/h4-7,10-11,16,26H,8-9,21H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeySFTBEVKTNITADQ-MRXNPFEDSA-N
MW352.44 g/mol
LogP2.72
Rot. Bonds5

About (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide

(2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide (PubChem CID 87751097) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide
PubChem CID87751097
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide
SMILESCc1ccc(-n2c(CC[C@@H](N)C(=O)NO)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C20H24N4O2/c1-12-4-6-15(7-5-12)24-18-11-14(3)13(2)10-17(18)22-19(24)9-8-16(21)20(25)23-26/h4-7,10-11,16,26H,8-9,21H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeySFTBEVKTNITADQ-MRXNPFEDSA-N
XLogP2.72
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.72
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'}

Analyze (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-hydroxy-4-[1-(4-methoxyphenyl)-5,6-dimethylbenzimidazol-2-yl]butanamide
CID 87750479
(2S)-2-amino-4-(1-cyclohexyl-5,6-dimethylbenzimidazol-2-yl)-N-hydroxybutanamide
CID 87750270
(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
CID 87750186
2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
CID 23148423
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
(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-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
(2S)-2-[[(2S)-2-amino-4-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]butanoyl]amino]-4-methylpentanoic acid;dihydrochloride
CID 171477667
ethyl 2-[[2-amino-4-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]butanoyl]amino]-4-methylpentanoate;hydrochloride
CID 175540978
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide?
The IUPAC name of (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide (CID 87751097) is (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide.
What is the SMILES notation for (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide?
The canonical SMILES for (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide is Cc1ccc(-n2c(CC[C@@H](N)C(=O)NO)nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide?
The InChIKey is SFTBEVKTNITADQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-4-6-15(7-5-12)24-18-11-14(3)13(2)10-17(18)22-19(24)9-8-16(21)20(25)23-26/h4-7,10-11,16,26H,8-9,21H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide?
(2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide has a molecular weight of 352.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[5,6-dimethyl-1-(4-methylphenyl)benzimidazol-2-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87751097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).