(4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone

C13H11ClN2O — CID 3929589

IUPAC(4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc2n1CCC2
InChIInChI=1S/C13H11ClN2O/c14-10-5-3-9(4-6-10)13(17)11-8-15-12-2-1-7-16(11)12/h3-6,8H,1-2,7H2
InChIKeyPYJIJURLQOREJT-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.71
Rot. Bonds2

About (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone

(4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone (PubChem CID 3929589) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
PubChem CID3929589
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name(4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc2n1CCC2
InChIInChI=1S/C13H11ClN2O/c14-10-5-3-9(4-6-10)13(17)11-8-15-12-2-1-7-16(11)12/h3-6,8H,1-2,7H2
InChIKeyPYJIJURLQOREJT-UHFFFAOYSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethanone
CID 32251
(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
(2-Chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 5011391
(4-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-3-methyl-3H-imidazol-4-yl)methanone
CID 10134089
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-ylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 10156476
(3-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10292893
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
(4-Chlorophenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 1484079
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylthio)-1H-imidazol-5-yl)methanone
CID 10177656
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-yloxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11545034
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 11551796
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propoxy)-1H-imidazol-5-yl)methanone
CID 11574091

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone (CID 3929589) is (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone is O=C(c1ccc(Cl)cc1)c1cnc2n1CCC2.
What is the InChIKey of (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
The InChIKey is PYJIJURLQOREJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-5-3-9(4-6-10)13(17)11-8-15-12-2-1-7-16(11)12/h3-6,8H,1-2,7H2.
What are the key properties of (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
(4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone has a molecular weight of 246.70 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone is sourced from PubChem (CID 3929589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).