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

C15H15N3OS — CID 50844685

IUPACN-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide
SMILESCCn1cnc2cc(CNC(=O)c3ccsc3)ccc21
InChIInChI=1S/C15H15N3OS/c1-2-18-10-17-13-7-11(3-4-14(13)18)8-16-15(19)12-5-6-20-9-12/h3-7,9-10H,2,8H2,1H3,(H,16,19)
InChIKeyGPCHYLLJQFTWGH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.05
Rot. Bonds4

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

N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide (PubChem CID 50844685) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide
PubChem CID50844685
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide
SMILESCCn1cnc2cc(CNC(=O)c3ccsc3)ccc21
InChIInChI=1S/C15H15N3OS/c1-2-18-10-17-13-7-11(3-4-14(13)18)8-16-15(19)12-5-6-20-9-12/h3-7,9-10H,2,8H2,1H3,(H,16,19)
InChIKeyGPCHYLLJQFTWGH-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
CID 50844722
1-(1-ethylbenzimidazol-5-yl)-N-methylmethanamine
CID 82490893
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
CID 82491787
N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 50844690
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide (CID 50844685) is N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide is CCn1cnc2cc(CNC(=O)c3ccsc3)ccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide?
The InChIKey is GPCHYLLJQFTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-18-10-17-13-7-11(3-4-14(13)18)8-16-15(19)12-5-6-20-9-12/h3-7,9-10H,2,8H2,1H3,(H,16,19).
What are the key properties of N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide?
N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 50844685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).