2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide

C18H20N4OS — CID 11739323

IUPAC2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)c2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc21
InChIInChI=1S/C18H20N4OS/c1-17(2)10-8-12(24-14(10)18(3,4)22-17)16-20-11-7-5-6-9(15(19)23)13(11)21-16/h5-8,22H,1-4H3,(H2,19,23)(H,20,21)
InChIKeyJLZVGUKETWQLKR-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds2

About 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide

2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11739323) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11739323
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)c2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc21
InChIInChI=1S/C18H20N4OS/c1-17(2)10-8-12(24-14(10)18(3,4)22-17)16-20-11-7-5-6-9(15(19)23)13(11)21-16/h5-8,22H,1-4H3,(H2,19,23)(H,20,21)
InChIKeyJLZVGUKETWQLKR-UHFFFAOYSA-N
XLogP3.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide (CID 11739323) is 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide is CC1(C)NC(C)(C)c2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc21.
What is the InChIKey of 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JLZVGUKETWQLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-17(2)10-8-12(24-14(10)18(3,4)22-17)16-20-11-7-5-6-9(15(19)23)13(11)21-16/h5-8,22H,1-4H3,(H2,19,23)(H,20,21).
What are the key properties of 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide?
2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,6,6-tetramethyl-5H-thieno[2,3-c]pyrrol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11739323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).