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

C14H15F2N3OS — CID 154789928

IUPAC2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1ccsc1C(F)F
InChIInChI=1S/C14H15F2N3OS/c15-13(16)12-8(5-6-21-12)14(20)17-7-11-18-9-3-1-2-4-10(9)19-11/h5-6,13H,1-4,7H2,(H,17,20)(H,18,19)
InChIKeyKXYJWMGMWLYVSO-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.22
Rot. Bonds4

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

2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 154789928) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
PubChem CID154789928
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1ccsc1C(F)F
InChIInChI=1S/C14H15F2N3OS/c15-13(16)12-8(5-6-21-12)14(20)17-7-11-18-9-3-1-2-4-10(9)19-11/h5-6,13H,1-4,7H2,(H,17,20)(H,18,19)
InChIKeyKXYJWMGMWLYVSO-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 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide (CID 154789928) is 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide is O=C(NCc1nc2c([nH]1)CCCC2)c1ccsc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is KXYJWMGMWLYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c15-13(16)12-8(5-6-21-12)14(20)17-7-11-18-9-3-1-2-4-10(9)19-11/h5-6,13H,1-4,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide?
2-(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 2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 154789928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).