N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide

C17H23N5O — CID 66735798

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C17H23N5O/c23-17(22-9-6-18-15-22)19-7-8-20-10-12-21(13-11-20)14-16-4-2-1-3-5-16/h1-6,9,15H,7-8,10-14H2,(H,19,23)
InChIKeyVJFAWMCAAGXVSR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide (PubChem CID 66735798) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
PubChem CID66735798
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C17H23N5O/c23-17(22-9-6-18-15-22)19-7-8-20-10-12-21(13-11-20)14-16-4-2-1-3-5-16/h1-6,9,15H,7-8,10-14H2,(H,19,23)
InChIKeyVJFAWMCAAGXVSR-UHFFFAOYSA-N
XLogP1.26
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide
CID 122566205
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467180
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 39302351
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide (CID 66735798) is N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)n1ccnc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide?
The InChIKey is VJFAWMCAAGXVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(22-9-6-18-15-22)19-7-8-20-10-12-21(13-11-20)14-16-4-2-1-3-5-16/h1-6,9,15H,7-8,10-14H2,(H,19,23).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 66735798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).