(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C12H14N2 — CID 97302978

IUPAC(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESC[C@H]1CCCc2nc3ccccc3n21
InChIInChI=1S/C12H14N2/c1-9-5-4-8-12-13-10-6-2-3-7-11(10)14(9)12/h2-3,6-7,9H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyAMCBRADDCJHOSL-VIFPVBQESA-N
MW186.26 g/mol
LogP2.93
Rot. Bonds

About (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 97302978) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID97302978
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESC[C@H]1CCCc2nc3ccccc3n21
InChIInChI=1S/C12H14N2/c1-9-5-4-8-12-13-10-6-2-3-7-11(10)14(9)12/h2-3,6-7,9H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyAMCBRADDCJHOSL-VIFPVBQESA-N
XLogP2.93
TPSA17.82 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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120509
(7S)-7-methyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 92978156
5-methyl-2,3-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 13126838
3,4-dihydro-2H-pyrido[1,2-a]benzimidazol-1-one
CID 14171670
(2R)-2-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 93477443
(6R)-2-(4-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125449521
1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
CID 126847861
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
1-methyl-3H-pyrrolo[1,2-a]benzimidazole
CID 45078447
5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120169
5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
CID 170036549
5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117150420

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 97302978) is (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is C[C@H]1CCCc2nc3ccccc3n21.
What is the InChIKey of (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is AMCBRADDCJHOSL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2/c1-9-5-4-8-12-13-10-6-2-3-7-11(10)14(9)12/h2-3,6-7,9H,4-5,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 186.26 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 97302978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).