N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide

C16H20N4O — CID 62223579

IUPACN-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1CNC1CC1)NCc1ccccc1
InChIInChI=1S/C16H20N4O/c21-16(19-10-13-4-2-1-3-5-13)12-20-9-8-17-15(20)11-18-14-6-7-14/h1-5,8-9,14,18H,6-7,10-12H2,(H,19,21)
InChIKeyDPRSPGPHGPJVFD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds7

About N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide

N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 62223579) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide
PubChem CID62223579
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1CNC1CC1)NCc1ccccc1
InChIInChI=1S/C16H20N4O/c21-16(19-10-13-4-2-1-3-5-13)12-20-9-8-17-15(20)11-18-14-6-7-14/h1-5,8-9,14,18H,6-7,10-12H2,(H,19,21)
InChIKeyDPRSPGPHGPJVFD-UHFFFAOYSA-N
XLogP1.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benznidazole
CID 31593
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
5H,10H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
CID 10353549
1-benzyl-1H-imidazole-2-carbaldehyde
CID 139082
2-(1H-imidazol-1-yl)-1-phenylethan-1-amine
CID 5195236
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
2-(4-Nitro-imidazol-1-yl)-N-phenethyl-acetamide
CID 1099826
N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)thio]acetamide
CID 749672
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
1'-Methylspiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,2'-pyrrolidine]-7-one
CID 10062914
13-Fluoro-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one
CID 10198663
Spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one
CID 18918189

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide (CID 62223579) is N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide is O=C(Cn1ccnc1CNC1CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is DPRSPGPHGPJVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-10-13-4-2-1-3-5-13)12-20-9-8-17-15(20)11-18-14-6-7-14/h1-5,8-9,14,18H,6-7,10-12H2,(H,19,21).
What are the key properties of N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide?
N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 62223579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).