N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide

C17H15N3O2S — CID 155400941

IUPACN-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)NC(O)N3)sc2ccccc12
InChIInChI=1S/C17H15N3O2S/c1-9-11-4-2-3-5-14(11)23-15(9)16(21)18-10-6-7-12-13(8-10)20-17(22)19-12/h2-8,17,19-20,22H,1H3,(H,18,21)
InChIKeyINTROTGDEYFMFP-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.58
Rot. Bonds2

About N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 155400941) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID155400941
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)NC(O)N3)sc2ccccc12
InChIInChI=1S/C17H15N3O2S/c1-9-11-4-2-3-5-14(11)23-15(9)16(21)18-10-6-7-12-13(8-10)20-17(22)19-12/h2-8,17,19-20,22H,1H3,(H,18,21)
InChIKeyINTROTGDEYFMFP-UHFFFAOYSA-N
XLogP3.58
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55958337
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 9076976
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 56556195
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1-benzothiophene-2-carboxamide
CID 9438065
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 17445534
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540
3-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-benzothiophene-2-carboxamide
CID 55493699
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 1322308
3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 38669121

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide (CID 155400941) is N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)NC(O)N3)sc2ccccc12.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is INTROTGDEYFMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-9-11-4-2-3-5-14(11)23-15(9)16(21)18-10-6-7-12-13(8-10)20-17(22)19-12/h2-8,17,19-20,22H,1H3,(H,18,21).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).