2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole

C16H22N4 — CID 95473984

IUPAC2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
SMILESc1cc2nc(C3CCNCC3)[nH]c2cc1N1CCCC1
InChIInChI=1S/C16H22N4/c1-2-10-20(9-1)13-3-4-14-15(11-13)19-16(18-14)12-5-7-17-8-6-12/h3-4,11-12,17H,1-2,5-10H2,(H,18,19)
InChIKeyHNVOQQVKTXSMMN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds2

About 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole

2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole (PubChem CID 95473984) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
PubChem CID95473984
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
SMILESc1cc2nc(C3CCNCC3)[nH]c2cc1N1CCCC1
InChIInChI=1S/C16H22N4/c1-2-10-20(9-1)13-3-4-14-15(11-13)19-16(18-14)12-5-7-17-8-6-12/h3-4,11-12,17H,1-2,5-10H2,(H,18,19)
InChIKeyHNVOQQVKTXSMMN-UHFFFAOYSA-N
XLogP2.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine
CID 22308651
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 168512602
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole?
The IUPAC name of 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole (CID 95473984) is 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole?
The canonical SMILES for 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole is c1cc2nc(C3CCNCC3)[nH]c2cc1N1CCCC1.
What is the InChIKey of 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole?
The InChIKey is HNVOQQVKTXSMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-10-20(9-1)13-3-4-14-15(11-13)19-16(18-14)12-5-7-17-8-6-12/h3-4,11-12,17H,1-2,5-10H2,(H,18,19).
What are the key properties of 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole?
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole has a molecular weight of 270.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole is sourced from PubChem (CID 95473984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).