4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide

C14H15F2N3OS — CID 146104748

IUPAC4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1cscc1C(F)F
InChIInChI=1S/C14H15F2N3OS/c15-13(16)8-6-21-7-9(8)14(20)17-5-12-18-10-3-1-2-4-11(10)19-12/h6-7,13H,1-5H2,(H,17,20)(H,18,19)
InChIKeyWNBOTZWWUZYTJZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.22
Rot. Bonds4

About 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide

4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 146104748) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
PubChem CID146104748
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1cscc1C(F)F
InChIInChI=1S/C14H15F2N3OS/c15-13(16)8-6-21-7-9(8)14(20)17-5-12-18-10-3-1-2-4-11(10)19-12/h6-7,13H,1-5H2,(H,17,20)(H,18,19)
InChIKeyWNBOTZWWUZYTJZ-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide (CID 146104748) is 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide is O=C(NCc1nc2c([nH]1)CCCC2)c1cscc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is WNBOTZWWUZYTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c15-13(16)8-6-21-7-9(8)14(20)17-5-12-18-10-3-1-2-4-11(10)19-12/h6-7,13H,1-5H2,(H,17,20)(H,18,19).
What are the key properties of 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 146104748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).