[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

C21H18N6O — CID 66555232

IUPAC[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCCc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C21H18N6O/c1-2-19-25-16-8-7-13(10-17(16)26-19)27-21(22)14(11-23-27)20(28)18-9-12-5-3-4-6-15(12)24-18/h3-11,24H,2,22H2,1H3,(H,25,26)
InChIKeyFNTYYRMQLQQXEI-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.61
Rot. Bonds4

About [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 66555232) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID66555232
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCCc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C21H18N6O/c1-2-19-25-16-8-7-13(10-17(16)26-19)27-21(22)14(11-23-27)20(28)18-9-12-5-3-4-6-15(12)24-18/h3-11,24H,2,22H2,1H3,(H,25,26)
InChIKeyFNTYYRMQLQQXEI-UHFFFAOYSA-N
XLogP3.61
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 66555232) is [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is CCc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is FNTYYRMQLQQXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-2-19-25-16-8-7-13(10-17(16)26-19)27-21(22)14(11-23-27)20(28)18-9-12-5-3-4-6-15(12)24-18/h3-11,24H,2,22H2,1H3,(H,25,26).
What are the key properties of [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 370.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 66555232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).