[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone

C22H27N5O — CID 164619621

IUPAC[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccn3C)c(C)nc12
InChIInChI=1S/C22H27N5O/c1-5-25(6-2)14-15-26-17-10-7-8-11-18(17)27-20(16(3)23-22(26)27)21(28)19-12-9-13-24(19)4/h7-13H,5-6,14-15H2,1-4H3
InChIKeyFSLNBTPHXJPBDH-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.51
Rot. Bonds7

About [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 164619621) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID164619621
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccn3C)c(C)nc12
InChIInChI=1S/C22H27N5O/c1-5-25(6-2)14-15-26-17-10-7-8-11-18(17)27-20(16(3)23-22(26)27)21(28)19-12-9-13-24(19)4/h7-13H,5-6,14-15H2,1-4H3
InChIKeyFSLNBTPHXJPBDH-UHFFFAOYSA-N
XLogP3.51
TPSA47.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 164619621) is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone is CCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccn3C)c(C)nc12.
What is the InChIKey of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is FSLNBTPHXJPBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-25(6-2)14-15-26-17-10-7-8-11-18(17)27-20(16(3)23-22(26)27)21(28)19-12-9-13-24(19)4/h7-13H,5-6,14-15H2,1-4H3.
What are the key properties of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 164619621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).