2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine

C9H13N3 — CID 10511207

IUPAC2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine
SMILESNCCC1=NC2C=CC=CC2N1
InChIInChI=1S/C9H13N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4,7-8H,5-6,10H2,(H,11,12)
InChIKeyKNLCALUGXCAULQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds2

About 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine

2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine (PubChem CID 10511207) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine
PubChem CID10511207
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine
SMILESNCCC1=NC2C=CC=CC2N1
InChIInChI=1S/C9H13N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4,7-8H,5-6,10H2,(H,11,12)
InChIKeyKNLCALUGXCAULQ-UHFFFAOYSA-N
XLogP0.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-fluoro-3a,7a-dihydro-1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 71027331
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
3a,7a-dihydro-1H-benzimidazole
CID 15762978
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 58755520
2-(chloromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 58770067

Frequently Asked Questions

What is the IUPAC name of 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine (CID 10511207) is 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine is NCCC1=NC2C=CC=CC2N1.
What is the InChIKey of 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is KNLCALUGXCAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4,7-8H,5-6,10H2,(H,11,12).
What are the key properties of 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine?
2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 10511207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).