5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine

C8H11N3O — CID 86340464

IUPAC5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
SMILESCOc1ccc2c(c1)NC(N)N2
InChIInChI=1S/C8H11N3O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4,8,10-11H,9H2,1H3
InChIKeyXLHFHVANZPHZLK-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.77
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine

5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine (PubChem CID 86340464) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
PubChem CID86340464
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
SMILESCOc1ccc2c(c1)NC(N)N2
InChIInChI=1S/C8H11N3O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4,8,10-11H,9H2,1H3
InChIKeyXLHFHVANZPHZLK-UHFFFAOYSA-N
XLogP0.77
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 143474953
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(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
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CID 53407740
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008380
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
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(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
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CID 101449816

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine (CID 86340464) is 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine is COc1ccc2c(c1)NC(N)N2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine?
The InChIKey is XLHFHVANZPHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4,8,10-11H,9H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine?
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine has a molecular weight of 165.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine is sourced from PubChem (CID 86340464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).