6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole

C15H16ClN5 — CID 141252332

IUPAC6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole
SMILESClc1cc2[nH]c(-n3cccn3)nc2cc1N1CCCCC1
InChIInChI=1S/C15H16ClN5/c16-11-9-12-13(10-14(11)20-6-2-1-3-7-20)19-15(18-12)21-8-4-5-17-21/h4-5,8-10H,1-3,6-7H2,(H,18,19)
InChIKeySRQQWHFKRBZBIY-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.39
Rot. Bonds2

About 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole

6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole (PubChem CID 141252332) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole
PubChem CID141252332
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole
SMILESClc1cc2[nH]c(-n3cccn3)nc2cc1N1CCCCC1
InChIInChI=1S/C15H16ClN5/c16-11-9-12-13(10-14(11)20-6-2-1-3-7-20)19-15(18-12)21-8-4-5-17-21/h4-5,8-10H,1-3,6-7H2,(H,18,19)
InChIKeySRQQWHFKRBZBIY-UHFFFAOYSA-N
XLogP3.39
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 58156036
1-(4-chloro-2-pyrrolidin-1-ylphenyl)pyrazole
CID 168514990
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252349
2-pyrazol-1-yl-1H-benzimidazole
CID 639420
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
CID 68824080
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
5-chloro-6-piperidin-1-yl-2H-benzimidazole
CID 10585861
5-(4-fluorophenoxy)-2-pyrazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 141443536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole?
The IUPAC name of 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole (CID 141252332) is 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole?
The canonical SMILES for 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole is Clc1cc2[nH]c(-n3cccn3)nc2cc1N1CCCCC1.
What is the InChIKey of 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole?
The InChIKey is SRQQWHFKRBZBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c16-11-9-12-13(10-14(11)20-6-2-1-3-7-20)19-15(18-12)21-8-4-5-17-21/h4-5,8-10H,1-3,6-7H2,(H,18,19).
What are the key properties of 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole?
6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole has a molecular weight of 301.78 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole is sourced from PubChem (CID 141252332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).