2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide

C19H17N5O2 — CID 46984636

IUPAC2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
SMILESCC(=O)c1nc2ccccc2n1CC(=O)Nc1nn(C)c2ccccc12
InChIInChI=1S/C19H17N5O2/c1-12(25)19-20-14-8-4-6-10-16(14)24(19)11-17(26)21-18-13-7-3-5-9-15(13)23(2)22-18/h3-10H,11H2,1-2H3,(H,21,22,26)
InChIKeyAPIZKXJLSMTXOT-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide

2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide (PubChem CID 46984636) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
PubChem CID46984636
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
SMILESCC(=O)c1nc2ccccc2n1CC(=O)Nc1nn(C)c2ccccc12
InChIInChI=1S/C19H17N5O2/c1-12(25)19-20-14-8-4-6-10-16(14)24(19)11-17(26)21-18-13-7-3-5-9-15(13)23(2)22-18/h3-10H,11H2,1-2H3,(H,21,22,26)
InChIKeyAPIZKXJLSMTXOT-UHFFFAOYSA-N
XLogP2.76
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide?
The IUPAC name of 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide (CID 46984636) is 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide?
The canonical SMILES for 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide is CC(=O)c1nc2ccccc2n1CC(=O)Nc1nn(C)c2ccccc12.
What is the InChIKey of 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide?
The InChIKey is APIZKXJLSMTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12(25)19-20-14-8-4-6-10-16(14)24(19)11-17(26)21-18-13-7-3-5-9-15(13)23(2)22-18/h3-10H,11H2,1-2H3,(H,21,22,26).
What are the key properties of 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide?
2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide is sourced from PubChem (CID 46984636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).