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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Related Compounds

5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 142287298
N-[5-[(2,2-dimethylpropylamino)methyl]-1-[4-[methyl(prop-2-enoyl)amino]cyclohexyl]benzimidazol-2-yl]-5-(1-fluoroethyl)thiophene-2-carboxamide
CID 145278639
5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 159251643
N-[1-[[1-(2-cyano-4-methylpent-2-enoyl)pyrrolidin-2-yl]methyl]-6-[(2,2-dimethylpropylamino)methyl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 140682829
N-[1-[[(2R)-1-(2-cyano-4-methylpent-2-enoyl)pyrrolidin-2-yl]methyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 123945913
5-(difluoromethyl)-N-[5-[[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]thiophene-2-carboxamide
CID 126737610
N-[1-[[(2R)-1-[(Z)-2-cyano-3-(3-methyloxetan-3-yl)prop-2-enoyl]pyrrolidin-2-yl]methyl]-6-[(2,2-dimethylpropylamino)methyl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 90045464
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-N-(2,2-dimethylpropyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]benzimidazole-5-carboxamide
CID 73332600
tert-butyl 2-[2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-5-ethylbenzimidazol-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 159693083
N-[1-[[1-(2-cyano-4,4-dimethylpent-2-enoyl)pyrrolidin-2-yl]methyl]-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 123965739
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338

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).