4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

C20H25ClN6O — CID 1012567

IUPAC4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)n1
InChIInChI=1S/C20H25ClN6O/c1-2-26-14-15(21)18(24-26)19(28)23-20-22-16-8-4-5-9-17(16)27(20)13-12-25-10-6-3-7-11-25/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,23,28)
InChIKeyTTYAFCWZMOLMPW-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.64
Rot. Bonds6

About 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide (PubChem CID 1012567) has the molecular formula C20H25ClN6O and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
PubChem CID1012567
Molecular FormulaC20H25ClN6O
Molecular Weight400.91 g/mol
Exact Mass400.18
IUPAC Name4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)n1
InChIInChI=1S/C20H25ClN6O/c1-2-26-14-15(21)18(24-26)19(28)23-20-22-16-8-4-5-9-17(16)27(20)13-12-25-10-6-3-7-11-25/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,23,28)
InChIKeyTTYAFCWZMOLMPW-UHFFFAOYSA-N
XLogP3.64
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 122196180
2-ethyl-N-[1-[2-(1-piperidinyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide
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CID 57403531
5-chloro-3-phenyl-2-[(2S)-1-(7H-purin-6-yl)azetidin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73051811
5-chloro-3-phenyl-2-[(2S)-1-(7H-purin-6-yl)pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
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N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447649
4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide
CID 3147227
4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415037
1-[2-(1-azocanylcarbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]methanamine
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4-bromo-N-(1-ethyl-1H-benzimidazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide (CID 1012567) is 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is TTYAFCWZMOLMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O/c1-2-26-14-15(21)18(24-26)19(28)23-20-22-16-8-4-5-9-17(16)27(20)13-12-25-10-6-3-7-11-25/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,23,28).
What are the key properties of 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 1012567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).