2-ethyl-3H-benzimidazol-5-amine

C9H11N3 — CID 3094372

IUPAC2-ethyl-3H-benzimidazol-5-amine
SMILESCCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C9H11N3/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3,(H,11,12)
InChIKeyRJAJOQCGFBMAKT-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.71
Rot. Bonds1

About 2-ethyl-3H-benzimidazol-5-amine

2-ethyl-3H-benzimidazol-5-amine (PubChem CID 3094372) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-ethyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-3H-benzimidazol-5-amine
PubChem CID3094372
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-ethyl-3H-benzimidazol-5-amine
SMILESCCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C9H11N3/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3,(H,11,12)
InChIKeyRJAJOQCGFBMAKT-UHFFFAOYSA-N
XLogP1.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
4-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-2-ethyl-1H-pyrimidin-6-one
CID 114585578
2-ethyl-3H-benzimidazole-5-sulfonamide
CID 60649079
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-(2-ethyl-3H-benzimidazol-5-yl)aniline
CID 58381174
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-ethyl-3H-benzimidazol-5-amine (CID 3094372) is 2-ethyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-3H-benzimidazol-5-amine is CCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-ethyl-3H-benzimidazol-5-amine?
The InChIKey is RJAJOQCGFBMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-3H-benzimidazol-5-amine?
2-ethyl-3H-benzimidazol-5-amine has a molecular weight of 161.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 3094372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).