4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

C15H22N4O — CID 110205924

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESCc1ccc(C)n1CCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C15H22N4O/c1-12-5-6-13(2)19(12)9-3-4-15(20)17-8-7-14-10-16-11-18-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,18)(H,17,20)
InChIKeySSPVQIMGEFZXFD-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.97
Rot. Bonds7

About 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 110205924) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
PubChem CID110205924
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESCc1ccc(C)n1CCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C15H22N4O/c1-12-5-6-13(2)19(12)9-3-4-15(20)17-8-7-14-10-16-11-18-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,18)(H,17,20)
InChIKeySSPVQIMGEFZXFD-UHFFFAOYSA-N
XLogP1.97
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54479343
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
(9E,12E)-N-[2-(1H-imidazol-5-yl)ethyl]octadeca-9,12-dienamide
CID 171117223

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (CID 110205924) is 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is Cc1ccc(C)n1CCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is SSPVQIMGEFZXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-5-6-13(2)19(12)9-3-4-15(20)17-8-7-14-10-16-11-18-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 274.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 110205924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).