2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C17H16ClN3O — CID 18553463

IUPAC2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccncc2)N1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O/c18-13-3-1-4-14(11-13)21-16(12-6-8-19-9-7-12)20-10-2-5-15(20)17(21)22/h1,3-4,6-9,11,15-16H,2,5,10H2
InChIKeyMQJJSEPSMLRIEB-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.24
Rot. Bonds2

About 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 18553463) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID18553463
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccncc2)N1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O/c18-13-3-1-4-14(11-13)21-16(12-6-8-19-9-7-12)20-10-2-5-15(20)17(21)22/h1,3-4,6-9,11,15-16H,2,5,10H2
InChIKeyMQJJSEPSMLRIEB-UHFFFAOYSA-N
XLogP3.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H,5H-Pyrazolo[1,2-a][1,2,4]triazol-1-one, 2-(3-chlorophenyl)tetrahydro-3-(3-pyridinyl)-
CID 3989178
3-(3,4-dichlorophenyl)-2-pyridin-2-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3236532
2-(3,4-dichlorophenyl)-3-pyridin-3-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3237770
2-(3,4-dichlorophenyl)-3-pyridin-4-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3241243
2-(4-chlorophenyl)-3-pyridin-3-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3241328
3-(3-chlorophenyl)-2-pyridin-2-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3243306
3-(4-chlorophenyl)-2-pyridin-2-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3244208
2-(3-chlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5307729
1-(3-Chloro-phenyl)-3-(4-methyl-pyridin-3-yl)-imidazolidin-2-one
CID 49872153
3-phenyl-2-pyridin-2-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3241816
1-[4-(3-Chlorophenyl)piperazino]-3-phenyl-2-pyrrol-1-yl-propan-1-one
CID 9550920
3-[(4R,7S,8aS)-7-[(3-chlorophenyl)carbamoylamino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 26762377

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 18553463) is 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccncc2)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is MQJJSEPSMLRIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-3-1-4-14(11-13)21-16(12-6-8-19-9-7-12)20-10-2-5-15(20)17(21)22/h1,3-4,6-9,11,15-16H,2,5,10H2.
What are the key properties of 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 313.79 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 18553463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).