4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

C23H23N3O2S — CID 19493010

IUPAC4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(NC(=O)c2cc(COc3ccc(C)cc3)cs2)nc2ccccc21
InChIInChI=1S/C23H23N3O2S/c1-3-12-26-20-7-5-4-6-19(20)24-23(26)25-22(27)21-13-17(15-29-21)14-28-18-10-8-16(2)9-11-18/h4-11,13,15H,3,12,14H2,1-2H3,(H,24,25,27)
InChIKeyWICHAKYXMTVFCF-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.65
Rot. Bonds7

About 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 19493010) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID19493010
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(NC(=O)c2cc(COc3ccc(C)cc3)cs2)nc2ccccc21
InChIInChI=1S/C23H23N3O2S/c1-3-12-26-20-7-5-4-6-19(20)24-23(26)25-22(27)21-13-17(15-29-21)14-28-18-10-8-16(2)9-11-18/h4-11,13,15H,3,12,14H2,1-2H3,(H,24,25,27)
InChIKeyWICHAKYXMTVFCF-UHFFFAOYSA-N
XLogP5.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
4-[(4-nitropyrazol-1-yl)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 19494936
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445387
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19502995
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469358
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492917

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 19493010) is 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is CCCn1c(NC(=O)c2cc(COc3ccc(C)cc3)cs2)nc2ccccc21.
What is the InChIKey of 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is WICHAKYXMTVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-3-12-26-20-7-5-4-6-19(20)24-23(26)25-22(27)21-13-17(15-29-21)14-28-18-10-8-16(2)9-11-18/h4-11,13,15H,3,12,14H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19493010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).