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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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).