5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide

C21H23N5O — CID 11574082

IUPAC5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCC2)[nH]1
InChIInChI=1S/C21H23N5O/c22-12-17-13-24-20(25-17)21(27)26-19-6-5-16(14-7-9-23-10-8-14)11-18(19)15-3-1-2-4-15/h3,5-6,11,13-14,23H,1-2,4,7-10H2,(H,24,25)(H,26,27)
InChIKeyFXFXHNQBLWHYDI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds4

About 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide (PubChem CID 11574082) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
PubChem CID11574082
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCC2)[nH]1
InChIInChI=1S/C21H23N5O/c22-12-17-13-24-20(25-17)21(27)26-19-6-5-16(14-7-9-23-10-8-14)11-18(19)15-3-1-2-4-15/h3,5-6,11,13-14,23H,1-2,4,7-10H2,(H,24,25)(H,26,27)
InChIKeyFXFXHNQBLWHYDI-UHFFFAOYSA-N
XLogP3.57
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide (CID 11574082) is 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The InChIKey is FXFXHNQBLWHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-12-17-13-24-20(25-17)21(27)26-19-6-5-16(14-7-9-23-10-8-14)11-18(19)15-3-1-2-4-15/h3,5-6,11,13-14,23H,1-2,4,7-10H2,(H,24,25)(H,26,27).
What are the key properties of 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11574082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).