N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine

C15H20N4O2 — CID 106012835

IUPACN-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCCCC3CCCC3)[nH]c2c1
InChIInChI=1S/C15H20N4O2/c20-19(21)12-7-8-13-14(10-12)18-15(17-13)16-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9H2,(H2,16,17,18)
InChIKeyVHSIDRRJTCSTGU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.85
Rot. Bonds6

About N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine

N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine (PubChem CID 106012835) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
PubChem CID106012835
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCCCC3CCCC3)[nH]c2c1
InChIInChI=1S/C15H20N4O2/c20-19(21)12-7-8-13-14(10-12)18-15(17-13)16-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9H2,(H2,16,17,18)
InChIKeyVHSIDRRJTCSTGU-UHFFFAOYSA-N
XLogP3.85
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(oxan-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 107094551
6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
CID 104973003
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
6-nitro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 80586477
N-(2-methoxyethyl)-6-nitro-1H-benzimidazol-2-amine
CID 78911169
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitro-1H-benzimidazol-2-amine
CID 78911140
6-nitro-N-(2,3,3-trimethylbutyl)-1H-benzimidazol-2-amine
CID 83144546
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 106014998
tert-butyl 3-[[(6-nitro-1H-benzimidazol-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631132
N-[2-(furan-2-yl)ethyl]-6-nitro-1H-benzimidazol-2-amine
CID 78911147
6-nitro-N-piperidin-3-yl-1H-benzimidazol-2-amine
CID 71635836
6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine
CID 83026519

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine (CID 106012835) is N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine is O=[N+]([O-])c1ccc2nc(NCCCC3CCCC3)[nH]c2c1.
What is the InChIKey of N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine?
The InChIKey is VHSIDRRJTCSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-19(21)12-7-8-13-14(10-12)18-15(17-13)16-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9H2,(H2,16,17,18).
What are the key properties of N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine?
N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine is sourced from PubChem (CID 106012835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).