1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole

C14H22N2 — CID 83217968

IUPAC1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole
SMILESCC1CCCc2nc3c(n21)CC(C)(C)CC3
InChIInChI=1S/C14H22N2/c1-10-5-4-6-13-15-11-7-8-14(2,3)9-12(11)16(10)13/h10H,4-9H2,1-3H3
InChIKeyFJBHYCWGWGWMTF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.30
Rot. Bonds

About 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole

1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole (PubChem CID 83217968) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole
PubChem CID83217968
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole
SMILESCC1CCCc2nc3c(n21)CC(C)(C)CC3
InChIInChI=1S/C14H22N2/c1-10-5-4-6-13-15-11-7-8-14(2,3)9-12(11)16(10)13/h10H,4-9H2,1-3H3
InChIKeyFJBHYCWGWGWMTF-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82111453
(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 97302978
1-(2,5-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-methylmethanamine
CID 83830562
(6R)-2-(4-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125449521
3-(1-adamantyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59656142
2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
CID 83217367
1-bromo-3-cyclopropyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 83844096
N-methyl-1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 83828129
4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine
CID 112555620
5-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120509
5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120169
2,4-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]benzimidazole
CID 115404217

Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole?
The IUPAC name of 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole (CID 83217968) is 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole?
The canonical SMILES for 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole is CC1CCCc2nc3c(n21)CC(C)(C)CC3.
What is the InChIKey of 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole?
The InChIKey is FJBHYCWGWGWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-5-4-6-13-15-11-7-8-14(2,3)9-12(11)16(10)13/h10H,4-9H2,1-3H3.
What are the key properties of 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole?
1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole has a molecular weight of 218.34 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-2,3,4,6,7,9-hexahydro-1H-pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 83217968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).