1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole

C15H23N5 — CID 70105474

IUPAC1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
SMILESCn1c(CN2CCNCCNCC2)nc2ccccc21
InChIInChI=1S/C15H23N5/c1-19-14-5-3-2-4-13(14)18-15(19)12-20-10-8-16-6-7-17-9-11-20/h2-5,16-17H,6-12H2,1H3
InChIKeyQVYMBVGBGPGZOA-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole

1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole (PubChem CID 70105474) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
PubChem CID70105474
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
SMILESCn1c(CN2CCNCCNCC2)nc2ccccc21
InChIInChI=1S/C15H23N5/c1-19-14-5-3-2-4-13(14)18-15(19)12-20-10-8-16-6-7-17-9-11-20/h2-5,16-17H,6-12H2,1H3
InChIKeyQVYMBVGBGPGZOA-UHFFFAOYSA-N
XLogP0.57
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1-methylbenzimidazole
CID 120908401
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 24849789
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
CID 46225320
2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzoic acid
CID 171780051
3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95273332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole?
The IUPAC name of 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole (CID 70105474) is 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole is Cn1c(CN2CCNCCNCC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole?
The InChIKey is QVYMBVGBGPGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-19-14-5-3-2-4-13(14)18-15(19)12-20-10-8-16-6-7-17-9-11-20/h2-5,16-17H,6-12H2,1H3.
What are the key properties of 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole?
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole has a molecular weight of 273.38 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole is sourced from PubChem (CID 70105474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).