N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H27N5O — CID 134039804

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H27N5O/c1-16-19(17(2)25(3)24-16)9-10-21(27)23-12-11-20-22-13-14-26(20)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,27)
InChIKeyQDRUQVCJMLIYCX-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.57
Rot. Bonds8

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 134039804) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID134039804
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H27N5O/c1-16-19(17(2)25(3)24-16)9-10-21(27)23-12-11-20-22-13-14-26(20)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,27)
InChIKeyQDRUQVCJMLIYCX-UHFFFAOYSA-N
XLogP2.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 134039609
N-[3-(N-methylanilino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51305394
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 134039804) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QDRUQVCJMLIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-19(17(2)25(3)24-16)9-10-21(27)23-12-11-20-22-13-14-26(20)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 134039804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).