7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine

C12H15N3O — CID 46203464

IUPAC7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
SMILESCOc1ccc2c(nc3n2CCCC3)c1N
InChIInChI=1S/C12H15N3O/c1-16-9-6-5-8-12(11(9)13)14-10-4-2-3-7-15(8)10/h5-6H,2-4,7,13H2,1H3
InChIKeyQJFBDLOSAOXHFF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.96
Rot. Bonds1

About 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine

7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine (PubChem CID 46203464) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine.

Molecular Properties

Compound Name7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
PubChem CID46203464
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
SMILESCOc1ccc2c(nc3n2CCCC3)c1N
InChIInChI=1S/C12H15N3O/c1-16-9-6-5-8-12(11(9)13)14-10-4-2-3-7-15(8)10/h5-6H,2-4,7,13H2,1H3
InChIKeyQJFBDLOSAOXHFF-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine
CID 46862205
6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 171064698
methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate
CID 25157665
2,7-dimethoxyquinolin-8-amine
CID 86241566
N-[(3,4-dimethoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
CID 22579591
2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854107
11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 25157666
2-(1-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 131218475
N-[(3,4-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-amine
CID 4752748
2-methoxy-5-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)aniline
CID 29134829
6-(3,4-dimethoxyphenyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-dien-4-one
CID 56748315
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111202735

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
The IUPAC name of 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine (CID 46203464) is 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine.
What is the SMILES notation for 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
The canonical SMILES for 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine is COc1ccc2c(nc3n2CCCC3)c1N.
What is the InChIKey of 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
The InChIKey is QJFBDLOSAOXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-9-6-5-8-12(11(9)13)14-10-4-2-3-7-15(8)10/h5-6H,2-4,7,13H2,1H3.
What are the key properties of 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine?
7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine has a molecular weight of 217.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine is sourced from PubChem (CID 46203464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).