3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide

C21H27N3O — CID 90556846

IUPAC3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C21H27N3O/c25-21(12-11-16-6-2-1-3-7-16)23-18-9-4-8-17(14-18)19-15-22-20-10-5-13-24(19)20/h4,8-9,14-16H,1-3,5-7,10-13H2,(H,23,25)
InChIKeyIMJADJSLLQCHNW-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.80
Rot. Bonds5

About 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide

3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide (PubChem CID 90556846) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
PubChem CID90556846
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C21H27N3O/c25-21(12-11-16-6-2-1-3-7-16)23-18-9-4-8-17(14-18)19-15-22-20-10-5-13-24(19)20/h4,8-9,14-16H,1-3,5-7,10-13H2,(H,23,25)
InChIKeyIMJADJSLLQCHNW-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
CID 90556927
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide
CID 90557087
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90556928
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 90556810
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
CID 90557131
1-(4-butoxyphenyl)-3-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557031
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea
CID 90557016
3-amino-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide;hydrochloride
CID 119266721
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide (CID 90556846) is 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1cccc(-c2cnc3n2CCC3)c1.
What is the InChIKey of 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide?
The InChIKey is IMJADJSLLQCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(12-11-16-6-2-1-3-7-16)23-18-9-4-8-17(14-18)19-15-22-20-10-5-13-24(19)20/h4,8-9,14-16H,1-3,5-7,10-13H2,(H,23,25).
What are the key properties of 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide?
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 90556846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).