2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide

C18H20N4O2 — CID 177372430

IUPAC2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
SMILESC[C@H](NCc1ccccc1)c1nc2cc(C(=O)NO)ccc2n1C
InChIInChI=1S/C18H20N4O2/c1-12(19-11-13-6-4-3-5-7-13)17-20-15-10-14(18(23)21-24)8-9-16(15)22(17)2/h3-10,12,19,24H,11H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyQYUJOFDYFDOOEV-LBPRGKRZSA-N
MW324.38 g/mol
LogP2.54
Rot. Bonds5

About 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide

2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide (PubChem CID 177372430) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
PubChem CID177372430
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
SMILESC[C@H](NCc1ccccc1)c1nc2cc(C(=O)NO)ccc2n1C
InChIInChI=1S/C18H20N4O2/c1-12(19-11-13-6-4-3-5-7-13)17-20-15-10-14(18(23)21-24)8-9-16(15)22(17)2/h3-10,12,19,24H,11H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyQYUJOFDYFDOOEV-LBPRGKRZSA-N
XLogP2.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.54
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

N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
CID 177372418
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 134127106
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide (CID 177372430) is 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide is C[C@H](NCc1ccccc1)c1nc2cc(C(=O)NO)ccc2n1C.
What is the InChIKey of 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide?
The InChIKey is QYUJOFDYFDOOEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(19-11-13-6-4-3-5-7-13)17-20-15-10-14(18(23)21-24)8-9-16(15)22(17)2/h3-10,12,19,24H,11H2,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide?
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 177372430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).