(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide

C20H20ClN5O3 — CID 10201827

IUPAC(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CNC[C@H]1C(=O)NO)c1ccc(Cn2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C20H20ClN5O3/c21-20-24-15-3-1-2-4-17(15)26(20)11-12-5-7-13(8-6-12)18(27)23-16-10-22-9-14(16)19(28)25-29/h1-8,14,16,22,29H,9-11H2,(H,23,27)(H,25,28)/t14-,16+/m1/s1
InChIKeyBXAGEIFKYQOAIG-ZBFHGGJFSA-N
MW413.87 g/mol
LogP1.56
Rot. Bonds5

About (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide

(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide (PubChem CID 10201827) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide
PubChem CID10201827
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Name(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CNC[C@H]1C(=O)NO)c1ccc(Cn2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C20H20ClN5O3/c21-20-24-15-3-1-2-4-17(15)26(20)11-12-5-7-13(8-6-12)18(27)23-16-10-22-9-14(16)19(28)25-29/h1-8,14,16,22,29H,9-11H2,(H,23,27)(H,25,28)/t14-,16+/m1/s1
InChIKeyBXAGEIFKYQOAIG-ZBFHGGJFSA-N
XLogP1.56
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(3R,4S)-4-[[4-[(2-tert-butylbenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
CID 10204274
(3S,4S)-N-hydroxy-4-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-methylsulfonylpyrrolidine-3-carboxamide
CID 10185530
(3S,4S)-1-but-3-enyl-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide
CID 10140376
1-benzyl-2-chlorobenzimidazole
CID 3821987
2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole
CID 45276591
N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide
CID 139969118
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
(8R)-8-[[4-[(2,3-dimethylindol-1-yl)methyl]benzoyl]amino]-N-hydroxy-1-oxaspiro[4.4]nonane-7-carboxamide
CID 91086296

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide (CID 10201827) is (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide is O=C(N[C@H]1CNC[C@H]1C(=O)NO)c1ccc(Cn2c(Cl)nc3ccccc32)cc1.
What is the InChIKey of (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide?
The InChIKey is BXAGEIFKYQOAIG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c21-20-24-15-3-1-2-4-17(15)26(20)11-12-5-7-13(8-6-12)18(27)23-16-10-22-9-14(16)19(28)25-29/h1-8,14,16,22,29H,9-11H2,(H,23,27)(H,25,28)/t14-,16+/m1/s1.
What are the key properties of (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide?
(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide has a molecular weight of 413.87 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide is sourced from PubChem (CID 10201827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).