1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole

C17H16N2S — CID 79343416

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC1CSc2ccccc21
InChIInChI=1S/C17H16N2S/c1-12-18-15-7-3-4-8-16(15)19(12)10-13-11-20-17-9-5-2-6-14(13)17/h2-9,13H,10-11H2,1H3
InChIKeyBHZAQKIYXJXHBX-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.23
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole (PubChem CID 79343416) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole
PubChem CID79343416
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC1CSc2ccccc21
InChIInChI=1S/C17H16N2S/c1-12-18-15-7-3-4-8-16(15)19(12)10-13-11-20-17-9-5-2-6-14(13)17/h2-9,13H,10-11H2,1H3
InChIKeyBHZAQKIYXJXHBX-UHFFFAOYSA-N
XLogP4.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole
CID 82693864
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylimidazole-4-sulfonamide
CID 81340763
6-chloro-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584878
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethyl-1,2,4-triazole
CID 79349032
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120851115
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 79325639
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole (CID 79343416) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1CC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole?
The InChIKey is BHZAQKIYXJXHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-18-15-7-3-4-8-16(15)19(12)10-13-11-20-17-9-5-2-6-14(13)17/h2-9,13H,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole has a molecular weight of 280.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole is sourced from PubChem (CID 79343416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).