(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide

C18H26N4O2 — CID 87749531

IUPAC(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
SMILESN[C@H](CCc1nc2ccccc2n1CC1CCCCC1)C(=O)NO
InChIInChI=1S/C18H26N4O2/c19-14(18(23)21-24)10-11-17-20-15-8-4-5-9-16(15)22(17)12-13-6-2-1-3-7-13/h4-5,8-9,13-14,24H,1-3,6-7,10-12,19H2,(H,21,23)/t14-/m1/s1
InChIKeyQCMPZVPZBYTCQJ-CQSZACIVSA-N
MW330.43 g/mol
LogP2.38
Rot. Bonds6

About (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide

(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide (PubChem CID 87749531) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
PubChem CID87749531
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
SMILESN[C@H](CCc1nc2ccccc2n1CC1CCCCC1)C(=O)NO
InChIInChI=1S/C18H26N4O2/c19-14(18(23)21-24)10-11-17-20-15-8-4-5-9-16(15)22(17)12-13-6-2-1-3-7-13/h4-5,8-9,13-14,24H,1-3,6-7,10-12,19H2,(H,21,23)/t14-/m1/s1
InChIKeyQCMPZVPZBYTCQJ-CQSZACIVSA-N
XLogP2.38
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.38
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

(2S)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87751286
2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
CID 23148423
(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
CID 87750186
2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide
CID 23148274
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
benzyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97169469
benzyl 3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 71649890
3,5-diamino-6-chloro-N-[[1-(cyclobutylmethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 87328795
tert-butyl N-[(2R)-4-[1-(cyclohexylmethyl)-5,6-dimethylbenzimidazol-2-yl]-1-oxo-1-(trityloxyamino)butan-2-yl]carbamate
CID 86620526
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide?
The IUPAC name of (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide (CID 87749531) is (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide.
What is the SMILES notation for (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide?
The canonical SMILES for (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide is N[C@H](CCc1nc2ccccc2n1CC1CCCCC1)C(=O)NO.
What is the InChIKey of (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide?
The InChIKey is QCMPZVPZBYTCQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-14(18(23)21-24)10-11-17-20-15-8-4-5-9-16(15)22(17)12-13-6-2-1-3-7-13/h4-5,8-9,13-14,24H,1-3,6-7,10-12,19H2,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide?
(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide has a molecular weight of 330.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87749531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).