4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide

C21H23N5O — CID 14998848

IUPAC4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
SMILESO=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H23N5O/c27-21(17-6-8-20(9-7-17)26-12-10-22-16-26)24-14-18-15-25(13-11-23-18)19-4-2-1-3-5-19/h1-10,12,16,18,23H,11,13-15H2,(H,24,27)
InChIKeyLRNFWXDBPHKDSW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.08
Rot. Bonds5

About 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide

4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide (PubChem CID 14998848) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
PubChem CID14998848
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
SMILESO=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H23N5O/c27-21(17-6-8-20(9-7-17)26-12-10-22-16-26)24-14-18-15-25(13-11-23-18)19-4-2-1-3-5-19/h1-10,12,16,18,23H,11,13-15H2,(H,24,27)
InChIKeyLRNFWXDBPHKDSW-UHFFFAOYSA-N
XLogP2.08
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide (CID 14998848) is 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide is O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide?
The InChIKey is LRNFWXDBPHKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(17-6-8-20(9-7-17)26-12-10-22-16-26)24-14-18-15-25(13-11-23-18)19-4-2-1-3-5-19/h1-10,12,16,18,23H,11,13-15H2,(H,24,27).
What are the key properties of 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide?
4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(4-phenylpiperazin-2-yl)methyl]benzamide is sourced from PubChem (CID 14998848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).