[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine

C8H11N3 — CID 89185806

IUPAC[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine
SMILESNCC1=NC2C=CC=C[C@H]2N1
InChIInChI=1S/C8H11N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,6-7H,5,9H2,(H,10,11)/t6-,7?/m1/s1
InChIKeyWXCINUXYPWISEY-ULUSZKPHSA-N
MW149.20 g/mol
LogP-0.19
Rot. Bonds1

About [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine

[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine (PubChem CID 89185806) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine
PubChem CID89185806
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine
SMILESNCC1=NC2C=CC=C[C@H]2N1
InChIInChI=1S/C8H11N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,6-7H,5,9H2,(H,10,11)/t6-,7?/m1/s1
InChIKeyWXCINUXYPWISEY-ULUSZKPHSA-N
XLogP-0.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 58856209

Frequently Asked Questions

What is the IUPAC name of [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine?
The IUPAC name of [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine (CID 89185806) is [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine.
What is the SMILES notation for [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine?
The canonical SMILES for [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine is NCC1=NC2C=CC=C[C@H]2N1.
What is the InChIKey of [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine?
The InChIKey is WXCINUXYPWISEY-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H11N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,6-7H,5,9H2,(H,10,11)/t6-,7?/m1/s1.
What are the key properties of [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine?
[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine has a molecular weight of 149.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine is sourced from PubChem (CID 89185806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).