5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide

C20H24F2N4OS — CID 134447403

IUPAC5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(C(F)F)s2)nc2cc(CNCC(C)(C)C)ccc21
InChIInChI=1S/C20H24F2N4OS/c1-20(2,3)11-23-10-12-5-6-14-13(9-12)24-19(26(14)4)25-18(27)16-8-7-15(28-16)17(21)22/h5-9,17,23H,10-11H2,1-4H3,(H,24,25,27)
InChIKeyHOGSALWYUBZJBR-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.96
Rot. Bonds6

About 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide

5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 134447403) has the molecular formula C20H24F2N4OS and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID134447403
Molecular FormulaC20H24F2N4OS
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(C(F)F)s2)nc2cc(CNCC(C)(C)C)ccc21
InChIInChI=1S/C20H24F2N4OS/c1-20(2,3)11-23-10-12-5-6-14-13(9-12)24-19(26(14)4)25-18(27)16-8-7-15(28-16)17(21)22/h5-9,17,23H,10-11H2,1-4H3,(H,24,25,27)
InChIKeyHOGSALWYUBZJBR-UHFFFAOYSA-N
XLogP4.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide (CID 134447403) is 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide is Cn1c(NC(=O)c2ccc(C(F)F)s2)nc2cc(CNCC(C)(C)C)ccc21.
What is the InChIKey of 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is HOGSALWYUBZJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4OS/c1-20(2,3)11-23-10-12-5-6-14-13(9-12)24-19(26(14)4)25-18(27)16-8-7-15(28-16)17(21)22/h5-9,17,23H,10-11H2,1-4H3,(H,24,25,27).
What are the key properties of 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide?
5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 134447403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).