2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C18H21N3O — CID 32514215

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc2ncn(CC(=O)c3cc(C)n(C)c3C)c2cc1C
InChIInChI=1S/C18H21N3O/c1-11-6-16-17(7-12(11)2)21(10-19-16)9-18(22)15-8-13(3)20(5)14(15)4/h6-8,10H,9H2,1-5H3
InChIKeyNMOSBVCOHXLCHQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.49
Rot. Bonds3

About 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 32514215) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID32514215
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc2ncn(CC(=O)c3cc(C)n(C)c3C)c2cc1C
InChIInChI=1S/C18H21N3O/c1-11-6-16-17(7-12(11)2)21(10-19-16)9-18(22)15-8-13(3)20(5)14(15)4/h6-8,10H,9H2,1-5H3
InChIKeyNMOSBVCOHXLCHQ-UHFFFAOYSA-N
XLogP3.49
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 32514215) is 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc2ncn(CC(=O)c3cc(C)n(C)c3C)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is NMOSBVCOHXLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11-6-16-17(7-12(11)2)21(10-19-16)9-18(22)15-8-13(3)20(5)14(15)4/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 295.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 32514215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).