2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

C13H11ClN2O2 — CID 134691402

IUPAC2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
SMILESO=C(O)c1c(Cl)nc2n1CC(c1ccccc1)C2
InChIInChI=1S/C13H11ClN2O2/c14-12-11(13(17)18)16-7-9(6-10(16)15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18)
InChIKeySZUYQUYKWOOEML-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.57
Rot. Bonds2

About 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid (PubChem CID 134691402) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
PubChem CID134691402
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
SMILESO=C(O)c1c(Cl)nc2n1CC(c1ccccc1)C2
InChIInChI=1S/C13H11ClN2O2/c14-12-11(13(17)18)16-7-9(6-10(16)15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18)
InChIKeySZUYQUYKWOOEML-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate
CID 135604704
3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 12764895
7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120508
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 167414210
6-phenyl-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 12764925
2-chloro-5-(3-phenylazetidin-1-yl)benzoic acid
CID 79695040
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
6-phenyl-3-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 138809200
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
8-chloro-3-(4-phenylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-ol
CID 91514088
2,6-dichloro-4-(3-phenylazetidine-1-carbonyl)benzoic acid
CID 157035695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The IUPAC name of 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid (CID 134691402) is 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid is O=C(O)c1c(Cl)nc2n1CC(c1ccccc1)C2.
What is the InChIKey of 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
The InChIKey is SZUYQUYKWOOEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-12-11(13(17)18)16-7-9(6-10(16)15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18).
What are the key properties of 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid?
2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid is sourced from PubChem (CID 134691402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).