6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine

C13H17N5O2 — CID 104973003

IUPAC6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C13H17N5O2/c19-18(20)10-3-4-11-12(8-10)17-13(16-11)15-7-5-9-2-1-6-14-9/h3-4,8-9,14H,1-2,5-7H2,(H2,15,16,17)/t9-/m1/s1
InChIKeyCUNGUVTXKDRLKW-SECBINFHSA-N
MW275.31 g/mol
LogP2.03
Rot. Bonds5

About 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine

6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine (PubChem CID 104973003) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
PubChem CID104973003
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C13H17N5O2/c19-18(20)10-3-4-11-12(8-10)17-13(16-11)15-7-5-9-2-1-6-14-9/h3-4,8-9,14H,1-2,5-7H2,(H2,15,16,17)/t9-/m1/s1
InChIKeyCUNGUVTXKDRLKW-SECBINFHSA-N
XLogP2.03
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
CID 106012835
6-nitro-N-[2-(oxan-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 107094551
6-nitro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 80586477
N-(2-methoxyethyl)-6-nitro-1H-benzimidazol-2-amine
CID 78911169
6-nitro-N-piperidin-3-yl-1H-benzimidazol-2-amine
CID 71635836
5-nitro-2-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104973145
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitro-1H-benzimidazol-2-amine
CID 78911140
2-fluoro-5-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972697
6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71635780
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
N-[2-(furan-2-yl)ethyl]-6-nitro-1H-benzimidazol-2-amine
CID 78911147

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine (CID 104973003) is 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine is O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCN3)[nH]c2c1.
What is the InChIKey of 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine?
The InChIKey is CUNGUVTXKDRLKW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-18(20)10-3-4-11-12(8-10)17-13(16-11)15-7-5-9-2-1-6-14-9/h3-4,8-9,14H,1-2,5-7H2,(H2,15,16,17)/t9-/m1/s1.
What are the key properties of 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine?
6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 104973003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).