1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone

C17H20N4O — CID 127038579

IUPAC1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone
SMILESCN1c2ccccc2C2(C)CCN(C(=O)Cn3ccnc3)C12
InChIInChI=1S/C17H20N4O/c1-17-7-9-21(15(22)11-20-10-8-18-12-20)16(17)19(2)14-6-4-3-5-13(14)17/h3-6,8,10,12,16H,7,9,11H2,1-2H3
InChIKeyBXJVAIZYAYRZMO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.85
Rot. Bonds2

About 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone

1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone (PubChem CID 127038579) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone
PubChem CID127038579
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone
SMILESCN1c2ccccc2C2(C)CCN(C(=O)Cn3ccnc3)C12
InChIInChI=1S/C17H20N4O/c1-17-7-9-21(15(22)11-20-10-8-18-12-20)16(17)19(2)14-6-4-3-5-13(14)17/h3-6,8,10,12,16H,7,9,11H2,1-2H3
InChIKeyBXJVAIZYAYRZMO-UHFFFAOYSA-N
XLogP1.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-[3-[2-(4-bromophenyl)-2-oxoethyl]imidazol-3-ium-1-yl]ethanone
CID 127041920
[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
CID 22215715
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614143
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
1-(4-benzyl-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-[3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanone
CID 127040010
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone
CID 90820074
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 136540092
3-imidazol-1-yl-1-(5-oxophenothiazin-10-yl)propan-1-one
CID 20569705
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556

Frequently Asked Questions

What is the IUPAC name of 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone (CID 127038579) is 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone is CN1c2ccccc2C2(C)CCN(C(=O)Cn3ccnc3)C12.
What is the InChIKey of 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone?
The InChIKey is BXJVAIZYAYRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-17-7-9-21(15(22)11-20-10-8-18-12-20)16(17)19(2)14-6-4-3-5-13(14)17/h3-6,8,10,12,16H,7,9,11H2,1-2H3.
What are the key properties of 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone?
1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone has a molecular weight of 296.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 127038579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).