2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole

C17H24N4 — CID 168514262

IUPAC2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
SMILESc1cc2nc(CN3CCCCC3)[nH]c2cc1N1CCCC1
InChIInChI=1S/C17H24N4/c1-2-8-20(9-3-1)13-17-18-15-7-6-14(12-16(15)19-17)21-10-4-5-11-21/h6-7,12H,1-5,8-11,13H2,(H,18,19)
InChIKeyVCRBHEWYBKLHRQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.15
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole

2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole (PubChem CID 168514262) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
PubChem CID168514262
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
SMILESc1cc2nc(CN3CCCCC3)[nH]c2cc1N1CCCC1
InChIInChI=1S/C17H24N4/c1-2-8-20(9-3-1)13-17-18-15-7-6-14(12-16(15)19-17)21-10-4-5-11-21/h6-7,12H,1-5,8-11,13H2,(H,18,19)
InChIKeyVCRBHEWYBKLHRQ-UHFFFAOYSA-N
XLogP3.15
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
6-isocyanato-2-(piperidin-1-ylmethyl)-1H-benzimidazole
CID 169354322
5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
CID 82336660
5-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376492
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
CID 83972438
2-(1,4-thiazepan-4-ylmethyl)-3H-benzimidazol-5-amine
CID 61418378
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 169371979
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 156898005
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 168512602
2-[(4,4-dimethylazepan-1-yl)methyl]-3H-benzimidazol-5-amine
CID 65283216

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole?
The IUPAC name of 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole (CID 168514262) is 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole is c1cc2nc(CN3CCCCC3)[nH]c2cc1N1CCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole?
The InChIKey is VCRBHEWYBKLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-8-20(9-3-1)13-17-18-15-7-6-14(12-16(15)19-17)21-10-4-5-11-21/h6-7,12H,1-5,8-11,13H2,(H,18,19).
What are the key properties of 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole?
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole has a molecular weight of 284.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole is sourced from PubChem (CID 168514262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).