4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C12H14N2 — CID 115281707

IUPAC4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1cccn2c3c(nc12)CCCC3
InChIInChI=1S/C12H14N2/c1-9-5-4-8-14-11-7-3-2-6-10(11)13-12(9)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKACWAMPOORJCBH-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.52
Rot. Bonds

About 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 115281707) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID115281707
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1cccn2c3c(nc12)CCCC3
InChIInChI=1S/C12H14N2/c1-9-5-4-8-14-11-7-3-2-6-10(11)13-12(9)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKACWAMPOORJCBH-UHFFFAOYSA-N
XLogP2.52
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 55268542
6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
CID 113303395
4,6,6-trimethyl-8,9-dihydro-7H-pyrido[1,2-a]benzimidazole
CID 115404376
5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 115404304
4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-2-carbaldehyde
CID 83966113
1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
CID 121209415
9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine
CID 83966735
14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 115404323
4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole
CID 103961742
6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid
CID 65130930
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
CID 51345842

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 115281707) is 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is Cc1cccn2c3c(nc12)CCCC3.
What is the InChIKey of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is KACWAMPOORJCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-5-4-8-14-11-7-3-2-6-10(11)13-12(9)14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 186.26 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 115281707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).