2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide

C18H17N5O — CID 110773214

IUPAC2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide
SMILESCc1nc2cc(CC(=O)Nc3ccc4cn[nH]c4c3)ccc2n1C
InChIInChI=1S/C18H17N5O/c1-11-20-16-7-12(3-6-17(16)23(11)2)8-18(24)21-14-5-4-13-10-19-22-15(13)9-14/h3-7,9-10H,8H2,1-2H3,(H,19,22)(H,21,24)
InChIKeyOOPOUHFVDJDXON-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.94
Rot. Bonds3

About 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide

2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide (PubChem CID 110773214) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide
PubChem CID110773214
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide
SMILESCc1nc2cc(CC(=O)Nc3ccc4cn[nH]c4c3)ccc2n1C
InChIInChI=1S/C18H17N5O/c1-11-20-16-7-12(3-6-17(16)23(11)2)8-18(24)21-14-5-4-13-10-19-22-15(13)9-14/h3-7,9-10H,8H2,1-2H3,(H,19,22)(H,21,24)
InChIKeyOOPOUHFVDJDXON-UHFFFAOYSA-N
XLogP2.94
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide?
The IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide (CID 110773214) is 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide?
The canonical SMILES for 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide is Cc1nc2cc(CC(=O)Nc3ccc4cn[nH]c4c3)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide?
The InChIKey is OOPOUHFVDJDXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-20-16-7-12(3-6-17(16)23(11)2)8-18(24)21-14-5-4-13-10-19-22-15(13)9-14/h3-7,9-10H,8H2,1-2H3,(H,19,22)(H,21,24).
What are the key properties of 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide?
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide has a molecular weight of 319.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 110773214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).