3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide

C18H21N3O4S — CID 68885899

IUPAC3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCC[C@@H](C)Oc1cc(-n2cnc3cc(OC)c(OC)cc32)sc1C(N)=O
InChIInChI=1S/C18H21N3O4S/c1-5-10(2)25-15-8-16(26-17(15)18(19)22)21-9-20-11-6-13(23-3)14(24-4)7-12(11)21/h6-10H,5H2,1-4H3,(H2,19,22)/t10-/m1/s1
InChIKeySZQZHEAXZWLACZ-SNVBAGLBSA-N
MW375.45 g/mol
LogP3.38
Rot. Bonds7

About 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide

3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 68885899) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID68885899
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCC[C@@H](C)Oc1cc(-n2cnc3cc(OC)c(OC)cc32)sc1C(N)=O
InChIInChI=1S/C18H21N3O4S/c1-5-10(2)25-15-8-16(26-17(15)18(19)22)21-9-20-11-6-13(23-3)14(24-4)7-12(11)21/h6-10H,5H2,1-4H3,(H2,19,22)/t10-/m1/s1
InChIKeySZQZHEAXZWLACZ-SNVBAGLBSA-N
XLogP3.38
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carbonitrile
CID 11552184
3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 59855193
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 11743086
[2-carbamoyl-5-(5,6-dimethoxybenzimidazol-1-yl)thiophen-3-yl] 2-methylbenzenesulfonate
CID 59855191
3-[(1R)-1-[2-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]ethoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 24831471
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methyl-6-methylsulfanylcyclohexa-1,5-dien-1-yl)methoxy]thiophene-2-carboxamide
CID 142861083
methyl 3-[1-(2-chloro-5-methylphenyl)ethoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxylate
CID 143592286
5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 53338692
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(3-oxopropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821102
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(2,3-dihydroxypropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821120
5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68766994
5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide
CID 68766236

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 68885899) is 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is CC[C@@H](C)Oc1cc(-n2cnc3cc(OC)c(OC)cc32)sc1C(N)=O.
What is the InChIKey of 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is SZQZHEAXZWLACZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-5-10(2)25-15-8-16(26-17(15)18(19)22)21-9-20-11-6-13(23-3)14(24-4)7-12(11)21/h6-10H,5H2,1-4H3,(H2,19,22)/t10-/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 68885899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).