5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine

C15H17F2N3S — CID 146642811

IUPAC5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine
SMILESCc1ccc2c(c1CNc1ccc(C(F)F)s1)N(C)CN2
InChIInChI=1S/C15H17F2N3S/c1-9-3-4-11-14(20(2)8-19-11)10(9)7-18-13-6-5-12(21-13)15(16)17/h3-6,15,18-19H,7-8H2,1-2H3
InChIKeyDBXDOYFIEOVRAB-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.43
Rot. Bonds4

About 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine

5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine (PubChem CID 146642811) has the molecular formula C15H17F2N3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine
PubChem CID146642811
Molecular FormulaC15H17F2N3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine
SMILESCc1ccc2c(c1CNc1ccc(C(F)F)s1)N(C)CN2
InChIInChI=1S/C15H17F2N3S/c1-9-3-4-11-14(20(2)8-19-11)10(9)7-18-13-6-5-12(21-13)15(16)17/h3-6,15,18-19H,7-8H2,1-2H3
InChIKeyDBXDOYFIEOVRAB-UHFFFAOYSA-N
XLogP4.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine (CID 146642811) is 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine is Cc1ccc2c(c1CNc1ccc(C(F)F)s1)N(C)CN2.
What is the InChIKey of 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine?
The InChIKey is DBXDOYFIEOVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3S/c1-9-3-4-11-14(20(2)8-19-11)10(9)7-18-13-6-5-12(21-13)15(16)17/h3-6,15,18-19H,7-8H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine?
5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine has a molecular weight of 309.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(3,5-dimethyl-1,2-dihydrobenzimidazol-4-yl)methyl]thiophen-2-amine is sourced from PubChem (CID 146642811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).