[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H19N3OS — CID 4731716

IUPAC[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C22H19N3OS/c1-14-13-15-7-3-5-9-17(15)25(14)22(26)20-12-11-19(27-20)21-23-16-8-4-6-10-18(16)24(21)2/h3-12,14H,13H2,1-2H3
InChIKeyTTXQCKMBJFNRKX-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.89
Rot. Bonds2

About [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 4731716) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID4731716
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C22H19N3OS/c1-14-13-15-7-3-5-9-17(15)25(14)22(26)20-12-11-19(27-20)21-23-16-8-4-6-10-18(16)24(21)2/h3-12,14H,13H2,1-2H3
InChIKeyTTXQCKMBJFNRKX-UHFFFAOYSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 53124466
[5-(benzenesulfonyl)thiophen-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95091593
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384951
N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 100772751

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 4731716) is [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(-c2nc3ccccc3n2C)s1.
What is the InChIKey of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is TTXQCKMBJFNRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-14-13-15-7-3-5-9-17(15)25(14)22(26)20-12-11-19(27-20)21-23-16-8-4-6-10-18(16)24(21)2/h3-12,14H,13H2,1-2H3.
What are the key properties of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 4731716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).