2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C18H17N3O — CID 110772518

IUPAC2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C18H17N3O/c1-12-8-14-4-2-3-5-17(14)21(12)18(22)10-13-6-7-15-16(9-13)20-11-19-15/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)
InChIKeyFLDNQUFZSAOCPY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.08
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 110772518) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID110772518
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C18H17N3O/c1-12-8-14-4-2-3-5-17(14)21(12)18(22)10-13-6-7-15-16(9-13)20-11-19-15/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)
InChIKeyFLDNQUFZSAOCPY-UHFFFAOYSA-N
XLogP3.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113209348
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679760
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51951439
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 110772518) is 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is FLDNQUFZSAOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-8-14-4-2-3-5-17(14)21(12)18(22)10-13-6-7-15-16(9-13)20-11-19-15/h2-7,9,11-12H,8,10H2,1H3,(H,19,20).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110772518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).