1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole

C13H15N3 — CID 90748214

IUPAC1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole
SMILESCn1cnc2ccc(C3=CCNCC3)cc21
InChIInChI=1S/C13H15N3/c1-16-9-15-12-3-2-11(8-13(12)16)10-4-6-14-7-5-10/h2-4,8-9,14H,5-7H2,1H3
InChIKeyNZXJCPVFTKNADF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.95
Rot. Bonds1

About 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole

1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole (PubChem CID 90748214) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole
PubChem CID90748214
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole
SMILESCn1cnc2ccc(C3=CCNCC3)cc21
InChIInChI=1S/C13H15N3/c1-16-9-15-12-3-2-11(8-13(12)16)10-4-6-14-7-5-10/h2-4,8-9,14H,5-7H2,1H3
InChIKeyNZXJCPVFTKNADF-UHFFFAOYSA-N
XLogP1.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole?
The IUPAC name of 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole (CID 90748214) is 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole.
What is the SMILES notation for 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole?
The canonical SMILES for 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole is Cn1cnc2ccc(C3=CCNCC3)cc21.
What is the InChIKey of 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole?
The InChIKey is NZXJCPVFTKNADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-15-12-3-2-11(8-13(12)16)10-4-6-14-7-5-10/h2-4,8-9,14H,5-7H2,1H3.
What are the key properties of 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole?
1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole has a molecular weight of 213.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole is sourced from PubChem (CID 90748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).