2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine

C12H13N5 — CID 107495752

IUPAC2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C12H13N5/c13-5-6-17-7-11(14-8-17)12-15-9-3-1-2-4-10(9)16-12/h1-4,7-8H,5-6,13H2,(H,15,16)
InChIKeyVIKABVGFTAXPTM-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.39
Rot. Bonds3

About 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine

2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 107495752) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID107495752
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C12H13N5/c13-5-6-17-7-11(14-8-17)12-15-9-3-1-2-4-10(9)16-12/h1-4,7-8H,5-6,13H2,(H,15,16)
InChIKeyVIKABVGFTAXPTM-UHFFFAOYSA-N
XLogP1.39
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495883
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
CID 107495958
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline
CID 171904842
2-phenyl-1H-benzimidazole;zinc
CID 174639851
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine (CID 107495752) is 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine is NCCn1cnc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is VIKABVGFTAXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-5-6-17-7-11(14-8-17)12-15-9-3-1-2-4-10(9)16-12/h1-4,7-8H,5-6,13H2,(H,15,16).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 227.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107495752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).