1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone

C18H18N2O — CID 130300406

IUPAC1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CC2)n2cncc21
InChIInChI=1S/C18H18N2O/c1-12-16-10-19-11-20(16)15(9-17(21)13-7-8-13)18(12)14-5-3-2-4-6-14/h2-6,10-11,13,15H,7-9H2,1H3
InChIKeyAQVLNOVYDZWYFM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.74
Rot. Bonds4

About 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone

1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone (PubChem CID 130300406) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
PubChem CID130300406
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CC2)n2cncc21
InChIInChI=1S/C18H18N2O/c1-12-16-10-19-11-20(16)15(9-17(21)13-7-8-13)18(12)14-5-3-2-4-6-14/h2-6,10-11,13,15H,7-9H2,1H3
InChIKeyAQVLNOVYDZWYFM-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone (CID 130300406) is 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone is CC1=C(c2ccccc2)C(CC(=O)C2CC2)n2cncc21.
What is the InChIKey of 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The InChIKey is AQVLNOVYDZWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-16-10-19-11-20(16)15(9-17(21)13-7-8-13)18(12)14-5-3-2-4-6-14/h2-6,10-11,13,15H,7-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone is sourced from PubChem (CID 130300406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).