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

C14H18N2 — CID 115403791

IUPAC2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1ccc2nc3c(n2c1)CCC(C)C3C
InChIInChI=1S/C14H18N2/c1-9-4-7-13-15-14-11(3)10(2)5-6-12(14)16(13)8-9/h4,7-8,10-11H,5-6H2,1-3H3
InChIKeyBIVWXNWXYOYCCZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.33
Rot. Bonds

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

2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 115403791) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID115403791
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1ccc2nc3c(n2c1)CCC(C)C3C
InChIInChI=1S/C14H18N2/c1-9-4-7-13-15-14-11(3)10(2)5-6-12(14)16(13)8-9/h4,7-8,10-11H,5-6H2,1-3H3
InChIKeyBIVWXNWXYOYCCZ-UHFFFAOYSA-N
XLogP3.33
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,8-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403765
8-tert-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 113303186
2-(4-tert-butylcyclohexyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 104575946
2-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403771
(4-methylpiperidin-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200908
12-methyl-4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 113303196
13-methyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 115403744
12-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 113315472
azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200979
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113201061
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028873

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 115403791) is 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is Cc1ccc2nc3c(n2c1)CCC(C)C3C.
What is the InChIKey of 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is BIVWXNWXYOYCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-4-7-13-15-14-11(3)10(2)5-6-12(14)16(13)8-9/h4,7-8,10-11H,5-6H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 115403791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).