5,6-dihydro-1H-benzimidazol-2-ylmethanamine

C8H11N3 — CID 123625225

IUPAC5,6-dihydro-1H-benzimidazol-2-ylmethanamine
SMILESNCc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C8H11N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h3-4H,1-2,5,9H2,(H,10,11)
InChIKeyLZKZYNDBDDMAJX-UHFFFAOYSA-N
MW149.20 g/mol
LogP-0.78
Rot. Bonds1

About 5,6-dihydro-1H-benzimidazol-2-ylmethanamine

5,6-dihydro-1H-benzimidazol-2-ylmethanamine (PubChem CID 123625225) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5,6-dihydro-1H-benzimidazol-2-ylmethanamine.

Molecular Properties

Compound Name5,6-dihydro-1H-benzimidazol-2-ylmethanamine
PubChem CID123625225
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5,6-dihydro-1H-benzimidazol-2-ylmethanamine
SMILESNCc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C8H11N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h3-4H,1-2,5,9H2,(H,10,11)
InChIKeyLZKZYNDBDDMAJX-UHFFFAOYSA-N
XLogP-0.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
CID 175894186
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
CID 70224389
(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 89016466
3a,7a-dihydro-1H-benzimidazol-2-ylmethanamine
CID 89023577
[(7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methanamine
CID 89185806

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-benzimidazol-2-ylmethanamine?
The IUPAC name of 5,6-dihydro-1H-benzimidazol-2-ylmethanamine (CID 123625225) is 5,6-dihydro-1H-benzimidazol-2-ylmethanamine.
What is the SMILES notation for 5,6-dihydro-1H-benzimidazol-2-ylmethanamine?
The canonical SMILES for 5,6-dihydro-1H-benzimidazol-2-ylmethanamine is NCc1nc2c([nH]1)=CCCC=2.
What is the InChIKey of 5,6-dihydro-1H-benzimidazol-2-ylmethanamine?
The InChIKey is LZKZYNDBDDMAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h3-4H,1-2,5,9H2,(H,10,11).
What are the key properties of 5,6-dihydro-1H-benzimidazol-2-ylmethanamine?
5,6-dihydro-1H-benzimidazol-2-ylmethanamine has a molecular weight of 149.20 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-benzimidazol-2-ylmethanamine is sourced from PubChem (CID 123625225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).