N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide

C20H21N5OS — CID 46263459

IUPACN-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCn1c(Cn2nc(C)cc2C)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C20H21N5OS/c1-4-24-17-8-7-15(21-20(26)18-6-5-9-27-18)11-16(17)22-19(24)12-25-14(3)10-13(2)23-25/h5-11H,4,12H2,1-3H3,(H,21,26)
InChIKeyMLWUYJGCARNOPK-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.23
Rot. Bonds5

About N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide

N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 46263459) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID46263459
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCn1c(Cn2nc(C)cc2C)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C20H21N5OS/c1-4-24-17-8-7-15(21-20(26)18-6-5-9-27-18)11-16(17)22-19(24)12-25-14(3)10-13(2)23-25/h5-11H,4,12H2,1-3H3,(H,21,26)
InChIKeyMLWUYJGCARNOPK-UHFFFAOYSA-N
XLogP4.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 29079928
N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828717
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17218644
N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828721
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 17218650
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide (CID 46263459) is N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide is CCn1c(Cn2nc(C)cc2C)nc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is MLWUYJGCARNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-4-24-17-8-7-15(21-20(26)18-6-5-9-27-18)11-16(17)22-19(24)12-25-14(3)10-13(2)23-25/h5-11H,4,12H2,1-3H3,(H,21,26).
What are the key properties of N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46263459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).