N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide

C22H20FN3OS — CID 16982068

IUPACN-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C22H20FN3OS/c23-17-11-9-16(10-12-17)15-26-19-6-2-1-5-18(19)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13,15H2,(H,24,27)
InChIKeyMJNNFQWUTZOJOU-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.65
Rot. Bonds7

About N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide

N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide (PubChem CID 16982068) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
PubChem CID16982068
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC NameN-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C22H20FN3OS/c23-17-11-9-16(10-12-17)15-26-19-6-2-1-5-18(19)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13,15H2,(H,24,27)
InChIKeyMJNNFQWUTZOJOU-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982069
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994814
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994810
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982163

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide (CID 16982068) is N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide is O=C(NCCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The InChIKey is MJNNFQWUTZOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS/c23-17-11-9-16(10-12-17)15-26-19-6-2-1-5-18(19)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13,15H2,(H,24,27).
What are the key properties of N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 16982068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).