3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide

C19H22N4O2S — CID 70947408

IUPAC3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O
InChIInChI=1S/C19H22N4O2S/c1-12-9-17(26-18(12)19(20)24)23-11-21-15-4-3-14(10-16(15)23)25-13-5-7-22(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H2,20,24)
InChIKeyRSXXPQIZWFNDNX-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide

3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide (PubChem CID 70947408) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
PubChem CID70947408
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O
InChIInChI=1S/C19H22N4O2S/c1-12-9-17(26-18(12)19(20)24)23-11-21-15-4-3-14(10-16(15)23)25-13-5-7-22(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H2,20,24)
InChIKeyRSXXPQIZWFNDNX-UHFFFAOYSA-N
XLogP2.97
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide (CID 70947408) is 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide is Cc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O.
What is the InChIKey of 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide?
The InChIKey is RSXXPQIZWFNDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-9-17(26-18(12)19(20)24)23-11-21-15-4-3-14(10-16(15)23)25-13-5-7-22(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H2,20,24).
What are the key properties of 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide?
3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70947408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).