2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride

C13H19Cl2N3 — CID 3063303

IUPAC2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2[nH]c(CN3CCCCC3)nc2c1
InChIInChI=1S/C13H17N3.2ClH/c1-4-8-16(9-5-1)10-13-14-11-6-2-3-7-12(11)15-13;;/h2-3,6-7H,1,4-5,8-10H2,(H,14,15);2*1H
InChIKeyFVDBPIYLZAACQX-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.39
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride (PubChem CID 3063303) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
PubChem CID3063303
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2[nH]c(CN3CCCCC3)nc2c1
InChIInChI=1S/C13H17N3.2ClH/c1-4-8-16(9-5-1)10-13-14-11-6-2-3-7-12(11)15-13;;/h2-3,6-7H,1,4-5,8-10H2,(H,14,15);2*1H
InChIKeyFVDBPIYLZAACQX-UHFFFAOYSA-N
XLogP3.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
CID 122244910
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
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2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
2-(piperidin-1-ylmethyl)-1H-benzimidazol-4-amine;trihydrochloride
CID 17336814
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 56913226
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
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CID 142062604

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride (CID 3063303) is 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride is Cl.Cl.c1ccc2[nH]c(CN3CCCCC3)nc2c1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride?
The InChIKey is FVDBPIYLZAACQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2ClH/c1-4-8-16(9-5-1)10-13-14-11-6-2-3-7-12(11)15-13;;/h2-3,6-7H,1,4-5,8-10H2,(H,14,15);2*1H.
What are the key properties of 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride?
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 3063303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).