2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide

C19H21N5O — CID 25257451

IUPAC2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ncc21
InChIInChI=1S/C19H21N5O/c1-18(2)11-8-14(21-9-12(11)19(3,4)24-18)17-22-13-7-5-6-10(16(20)25)15(13)23-17/h5-9,24H,1-4H3,(H2,20,25)(H,22,23)
InChIKeyJHQFDFSYYLUONC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.80
Rot. Bonds2

About 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide

2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25257451) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25257451
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ncc21
InChIInChI=1S/C19H21N5O/c1-18(2)11-8-14(21-9-12(11)19(3,4)24-18)17-22-13-7-5-6-10(16(20)25)15(13)23-17/h5-9,24H,1-4H3,(H2,20,25)(H,22,23)
InChIKeyJHQFDFSYYLUONC-UHFFFAOYSA-N
XLogP2.80
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide (CID 25257451) is 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide is CC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ncc21.
What is the InChIKey of 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JHQFDFSYYLUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-18(2)11-8-14(21-9-12(11)19(3,4)24-18)17-22-13-7-5-6-10(16(20)25)15(13)23-17/h5-9,24H,1-4H3,(H2,20,25)(H,22,23).
What are the key properties of 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide?
2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3-tetramethyl-2H-pyrrolo[3,4-c]pyridin-6-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25257451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).