N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine

C14H14ClN5 — CID 133359322

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
SMILESClc1cncc(NCCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H14ClN5/c15-12-8-16-9-14(20-12)17-7-3-6-13-18-10-4-1-2-5-11(10)19-13/h1-2,4-5,8-9H,3,6-7H2,(H,17,20)(H,18,19)
InChIKeyGWGOXOJZFXNBOD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.05
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine (PubChem CID 133359322) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
PubChem CID133359322
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
SMILESClc1cncc(NCCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H14ClN5/c15-12-8-16-9-14(20-12)17-7-3-6-13-18-10-4-1-2-5-11(10)19-13/h1-2,4-5,8-9H,3,6-7H2,(H,17,20)(H,18,19)
InChIKeyGWGOXOJZFXNBOD-UHFFFAOYSA-N
XLogP3.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
4-[3-(1H-benzimidazol-2-yl)propylamino]-2-chlorobenzonitrile
CID 133359345
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea
CID 51324851
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine (CID 133359322) is N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine is Clc1cncc(NCCCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine?
The InChIKey is GWGOXOJZFXNBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c15-12-8-16-9-14(20-12)17-7-3-6-13-18-10-4-1-2-5-11(10)19-13/h1-2,4-5,8-9H,3,6-7H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine is sourced from PubChem (CID 133359322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).