2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole

C15H22N4 — CID 142265346

IUPAC2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
SMILESCCN1CCCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H22N4/c1-2-18-8-5-9-19(11-10-18)12-15-16-13-6-3-4-7-14(13)17-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,16,17)
InChIKeyGTKLHPWFJFOBEQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.09
Rot. Bonds3

About 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole (PubChem CID 142265346) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
PubChem CID142265346
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
SMILESCCN1CCCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H22N4/c1-2-18-8-5-9-19(11-10-18)12-15-16-13-6-3-4-7-14(13)17-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,16,17)
InChIKeyGTKLHPWFJFOBEQ-UHFFFAOYSA-N
XLogP2.09
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 51697276
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
CID 122244910
5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133423864
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 56913226
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole (CID 142265346) is 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole is CCN1CCCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole?
The InChIKey is GTKLHPWFJFOBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-18-8-5-9-19(11-10-18)12-15-16-13-6-3-4-7-14(13)17-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,16,17).
What are the key properties of 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole?
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 142265346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).