2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole

C15H18N6 — CID 133411160

IUPAC2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCCC(Cn4ccnn4)C3)nc2c1
InChIInChI=1S/C15H18N6/c1-2-6-14-13(5-1)17-15(18-14)20-8-3-4-12(10-20)11-21-9-7-16-19-21/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,17,18)
InChIKeyBQSWHWXIAPFABQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.07
Rot. Bonds3

About 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole

2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole (PubChem CID 133411160) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
PubChem CID133411160
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCCC(Cn4ccnn4)C3)nc2c1
InChIInChI=1S/C15H18N6/c1-2-6-14-13(5-1)17-15(18-14)20-8-3-4-12(10-20)11-21-9-7-16-19-21/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,17,18)
InChIKeyBQSWHWXIAPFABQ-UHFFFAOYSA-N
XLogP2.07
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol
CID 166306574
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848
7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166306575
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
CID 125141302

Frequently Asked Questions

What is the IUPAC name of 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole (CID 133411160) is 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole is c1ccc2[nH]c(N3CCCC(Cn4ccnn4)C3)nc2c1.
What is the InChIKey of 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is BQSWHWXIAPFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-6-14-13(5-1)17-15(18-14)20-8-3-4-12(10-20)11-21-9-7-16-19-21/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,17,18).
What are the key properties of 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole?
2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 282.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 133411160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).