1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone

C15H15N3O — CID 976892

IUPAC1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1
InChIInChI=1S/C15H15N3O/c1-10(19)11-8-14(17(2)9-11)15-16-12-6-4-5-7-13(12)18(15)3/h4-9H,1-3H3
InChIKeyRBVABKCLWYVMIF-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.78
Rot. Bonds2

About 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone

1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone (PubChem CID 976892) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone
PubChem CID976892
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1
InChIInChI=1S/C15H15N3O/c1-10(19)11-8-14(17(2)9-11)15-16-12-6-4-5-7-13(12)18(15)3/h4-9H,1-3H3
InChIKeyRBVABKCLWYVMIF-UHFFFAOYSA-N
XLogP2.78
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone (CID 976892) is 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone is CC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1.
What is the InChIKey of 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone?
The InChIKey is RBVABKCLWYVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(19)11-8-14(17(2)9-11)15-16-12-6-4-5-7-13(12)18(15)3/h4-9H,1-3H3.
What are the key properties of 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone?
1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone has a molecular weight of 253.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 976892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).