1-(1H-benzimidazol-4-yl)ethanamine

C9H11N3 — CID 82415420

IUPAC1-(1H-benzimidazol-4-yl)ethanamine
SMILESCC(N)c1cccc2[nH]cnc12
InChIInChI=1S/C9H11N3/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-6H,10H2,1H3,(H,11,12)
InChIKeyGVTPLWBJPIXJAH-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.58
Rot. Bonds1

About 1-(1H-benzimidazol-4-yl)ethanamine

1-(1H-benzimidazol-4-yl)ethanamine (PubChem CID 82415420) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-(1H-benzimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-4-yl)ethanamine
PubChem CID82415420
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-(1H-benzimidazol-4-yl)ethanamine
SMILESCC(N)c1cccc2[nH]cnc12
InChIInChI=1S/C9H11N3/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-6H,10H2,1H3,(H,11,12)
InChIKeyGVTPLWBJPIXJAH-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzimidazole
CID 5798
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
Mavorixafor
CID 11256587
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
1H-Benzimidazole-2-methanamine
CID 145820
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-4-yl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-4-yl)ethanamine (CID 82415420) is 1-(1H-benzimidazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-4-yl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-4-yl)ethanamine is CC(N)c1cccc2[nH]cnc12.
What is the InChIKey of 1-(1H-benzimidazol-4-yl)ethanamine?
The InChIKey is GVTPLWBJPIXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-6H,10H2,1H3,(H,11,12).
What are the key properties of 1-(1H-benzimidazol-4-yl)ethanamine?
1-(1H-benzimidazol-4-yl)ethanamine has a molecular weight of 161.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-4-yl)ethanamine is sourced from PubChem (CID 82415420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).