2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide

C20H22N4O — CID 25256985

IUPAC2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ccc21
InChIInChI=1S/C20H22N4O/c1-19(2)13-9-8-11(10-14(13)20(3,4)24-19)18-22-15-7-5-6-12(17(21)25)16(15)23-18/h5-10,24H,1-4H3,(H2,21,25)(H,22,23)
InChIKeyPHRYWTFZJOLORC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.40
Rot. Bonds2

About 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide

2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25256985) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25256985
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ccc21
InChIInChI=1S/C20H22N4O/c1-19(2)13-9-8-11(10-14(13)20(3,4)24-19)18-22-15-7-5-6-12(17(21)25)16(15)23-18/h5-10,24H,1-4H3,(H2,21,25)(H,22,23)
InChIKeyPHRYWTFZJOLORC-UHFFFAOYSA-N
XLogP3.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide (CID 25256985) is 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide is CC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ccc21.
What is the InChIKey of 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is PHRYWTFZJOLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-19(2)13-9-8-11(10-14(13)20(3,4)24-19)18-22-15-7-5-6-12(17(21)25)16(15)23-18/h5-10,24H,1-4H3,(H2,21,25)(H,22,23).
What are the key properties of 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide?
2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3-tetramethyl-2H-isoindol-5-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25256985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).