2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole

C19H27N3 — CID 82336708

IUPAC2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole
SMILESCC1CCCC(C)N1Cc1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C19H27N3/c1-13-6-5-7-14(2)22(13)12-19-20-17-10-15-8-3-4-9-16(15)11-18(17)21-19/h10-11,13-14H,3-9,12H2,1-2H3,(H,20,21)
InChIKeyJCLGUPWLUBOADZ-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.20
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole

2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole (PubChem CID 82336708) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole
PubChem CID82336708
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole
SMILESCC1CCCC(C)N1Cc1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C19H27N3/c1-13-6-5-7-14(2)22(13)12-19-20-17-10-15-8-3-4-9-16(15)11-18(17)21-19/h10-11,13-14H,3-9,12H2,1-2H3,(H,20,21)
InChIKeyJCLGUPWLUBOADZ-UHFFFAOYSA-N
XLogP4.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole (CID 82336708) is 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole is CC1CCCC(C)N1Cc1nc2cc3c(cc2[nH]1)CCCC3.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole?
The InChIKey is JCLGUPWLUBOADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-13-6-5-7-14(2)22(13)12-19-20-17-10-15-8-3-4-9-16(15)11-18(17)21-19/h10-11,13-14H,3-9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole?
2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole has a molecular weight of 297.45 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole is sourced from PubChem (CID 82336708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).