1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole

C14H17N3 — CID 11117783

IUPAC1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole
SMILESCN1CCC=C(c2nc3ccccc3n2C)C1
InChIInChI=1S/C14H17N3/c1-16-9-5-6-11(10-16)14-15-12-7-3-4-8-13(12)17(14)2/h3-4,6-8H,5,9-10H2,1-2H3
InChIKeyGZOGZXZYHPWWNQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.29
Rot. Bonds1

About 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole

1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole (PubChem CID 11117783) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole
PubChem CID11117783
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole
SMILESCN1CCC=C(c2nc3ccccc3n2C)C1
InChIInChI=1S/C14H17N3/c1-16-9-5-6-11(10-16)14-15-12-7-3-4-8-13(12)17(14)2/h3-4,6-8H,5,9-10H2,1-2H3
InChIKeyGZOGZXZYHPWWNQ-UHFFFAOYSA-N
XLogP2.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
CID 102109258
1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-nitrobenzimidazole
CID 10901729
3-chloro-5-methyl-2-(1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane;1-methyl-2,3,6,7-tetrahydroazepine
CID 170601400
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
CID 71348433
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole (CID 11117783) is 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole is CN1CCC=C(c2nc3ccccc3n2C)C1.
What is the InChIKey of 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole?
The InChIKey is GZOGZXZYHPWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-16-9-5-6-11(10-16)14-15-12-7-3-4-8-13(12)17(14)2/h3-4,6-8H,5,9-10H2,1-2H3.
What are the key properties of 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole?
1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole has a molecular weight of 227.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzimidazole is sourced from PubChem (CID 11117783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).