(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C13H16N2 — CID 167031485

IUPAC(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1ccc2c(c1)nc1n2C[C@@H](C)CC1
InChIInChI=1S/C13H16N2/c1-9-3-5-12-11(7-9)14-13-6-4-10(2)8-15(12)13/h3,5,7,10H,4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyHCHHFPKPZRKWFJ-JTQLQIEISA-N
MW200.28 g/mol
LogP2.93
Rot. Bonds

About (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 167031485) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID167031485
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1ccc2c(c1)nc1n2C[C@@H](C)CC1
InChIInChI=1S/C13H16N2/c1-9-3-5-12-11(7-9)14-13-6-4-10(2)8-15(12)13/h3,5,7,10H,4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyHCHHFPKPZRKWFJ-JTQLQIEISA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 167031485) is (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is Cc1ccc2c(c1)nc1n2C[C@@H](C)CC1.
What is the InChIKey of (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is HCHHFPKPZRKWFJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2/c1-9-3-5-12-11(7-9)14-13-6-4-10(2)8-15(12)13/h3,5,7,10H,4,6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 200.28 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 (2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 167031485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).