N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide

C19H23N3OS — CID 112798359

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2nc3ccccc3[nH]2)sc1C
InChIInChI=1S/C19H23N3OS/c1-11(2)9-16(18-20-14-7-5-6-8-15(14)21-18)22-19(23)17-10-12(3)13(4)24-17/h5-8,10-11,16H,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyNWHWCKQDGSTZKS-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.76
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 112798359) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID112798359
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2nc3ccccc3[nH]2)sc1C
InChIInChI=1S/C19H23N3OS/c1-11(2)9-16(18-20-14-7-5-6-8-15(14)21-18)22-19(23)17-10-12(3)13(4)24-17/h5-8,10-11,16H,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyNWHWCKQDGSTZKS-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-bromo-4-fluorobenzamide
CID 55430385
2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640550
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822194
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27448120
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112798367
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112820972
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide (CID 112798359) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NC(CC(C)C)c2nc3ccccc3[nH]2)sc1C.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is NWHWCKQDGSTZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-11(2)9-16(18-20-14-7-5-6-8-15(14)21-18)22-19(23)17-10-12(3)13(4)24-17/h5-8,10-11,16H,9H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 112798359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).