4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile

C18H19N3O — CID 148703486

IUPAC4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile
SMILESCCCC(=O)Cc1cc(C#N)ccc1C1CCc2cncn21
InChIInChI=1S/C18H19N3O/c1-2-3-16(22)9-14-8-13(10-19)4-6-17(14)18-7-5-15-11-20-12-21(15)18/h4,6,8,11-12,18H,2-3,5,7,9H2,1H3
InChIKeyNVUZRZBUNFCNIM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds5

About 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile

4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile (PubChem CID 148703486) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile
PubChem CID148703486
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile
SMILESCCCC(=O)Cc1cc(C#N)ccc1C1CCc2cncn21
InChIInChI=1S/C18H19N3O/c1-2-3-16(22)9-14-8-13(10-19)4-6-17(14)18-7-5-15-11-20-12-21(15)18/h4,6,8,11-12,18H,2-3,5,7,9H2,1H3
InChIKeyNVUZRZBUNFCNIM-UHFFFAOYSA-N
XLogP3.20
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzonitrile
CID 58827054
3-bromo-4-[(5S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 66886510
4-[(5S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile;phosphoric acid
CID 129317926
4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile
CID 175374569
4-(5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-5-yl)-3-pyridin-3-ylbenzonitrile
CID 143417117
3-(5-methyl-1,2-oxazol-4-yl)-4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile
CID 70317903
4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile
CID 70318509
3-[5-[[4-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]sulfonyl]piperazin-1-yl]methyl]imidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonitrile
CID 123673507
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
3-fluoro-4-[(5S)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 71293803
3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 67216150
2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
CID 59835487

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile?
The IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile (CID 148703486) is 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile.
What is the SMILES notation for 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile?
The canonical SMILES for 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile is CCCC(=O)Cc1cc(C#N)ccc1C1CCc2cncn21.
What is the InChIKey of 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile?
The InChIKey is NVUZRZBUNFCNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-16(22)9-14-8-13(10-19)4-6-17(14)18-7-5-15-11-20-12-21(15)18/h4,6,8,11-12,18H,2-3,5,7,9H2,1H3.
What are the key properties of 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile?
4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile is sourced from PubChem (CID 148703486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).