6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine

C12H15N5O2 — CID 83026519

IUPAC6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NN3CCCCC3)[nH]c2c1
InChIInChI=1S/C12H15N5O2/c18-17(19)9-4-5-10-11(8-9)14-12(13-10)15-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,13,14,15)
InChIKeyAEWVVGGKQUFRBI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.28
Rot. Bonds3

About 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine

6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine (PubChem CID 83026519) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine
PubChem CID83026519
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NN3CCCCC3)[nH]c2c1
InChIInChI=1S/C12H15N5O2/c18-17(19)9-4-5-10-11(8-9)14-12(13-10)15-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,13,14,15)
InChIKeyAEWVVGGKQUFRBI-UHFFFAOYSA-N
XLogP2.28
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
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

6-nitro-N-piperidin-3-yl-1H-benzimidazol-2-amine
CID 71635836
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitro-1H-benzimidazol-2-amine
CID 78911140
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
(6-nitro-1H-benzimidazol-2-yl)methanamine
CID 30159791
6-nitro-N-[2-(oxan-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 107094551
N-(4-tert-butylphenyl)-6-nitro-1H-benzimidazol-2-amine
CID 70691011
6-nitro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 80586477
N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
CID 106012835
4-[(6-nitro-1H-benzimidazol-2-yl)amino]pyrrolidin-2-one
CID 107143727
(3R)-1-(6-nitro-1H-benzimidazol-2-yl)pyrrolidin-3-amine
CID 71643786
N-(2-methoxyethyl)-6-nitro-1H-benzimidazol-2-amine
CID 78911169
2-chloro-6-nitro-1H-benzimidazole;ethane
CID 144800712

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine?
The IUPAC name of 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine (CID 83026519) is 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine is O=[N+]([O-])c1ccc2nc(NN3CCCCC3)[nH]c2c1.
What is the InChIKey of 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine?
The InChIKey is AEWVVGGKQUFRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-17(19)9-4-5-10-11(8-9)14-12(13-10)15-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,13,14,15).
What are the key properties of 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine?
6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine has a molecular weight of 261.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 83026519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).