[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone

C21H18N6O — CID 50939489

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1
InChIInChI=1S/C21H18N6O/c1-11-3-4-13-8-19(26-17(13)7-11)20(28)15-10-23-27(21(15)22)14-5-6-16-18(9-14)25-12(2)24-16/h3-10,26H,22H2,1-2H3,(H,24,25)
InChIKeyVXIMXYPRIKHTPC-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.66
Rot. Bonds3

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 50939489) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone
PubChem CID50939489
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1
InChIInChI=1S/C21H18N6O/c1-11-3-4-13-8-19(26-17(13)7-11)20(28)15-10-23-27(21(15)22)14-5-6-16-18(9-14)25-12(2)24-16/h3-10,26H,22H2,1-2H3,(H,24,25)
InChIKeyVXIMXYPRIKHTPC-UHFFFAOYSA-N
XLogP3.66
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.66
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-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 50939489) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is VXIMXYPRIKHTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-11-3-4-13-8-19(26-17(13)7-11)20(28)15-10-23-27(21(15)22)14-5-6-16-18(9-14)25-12(2)24-16/h3-10,26H,22H2,1-2H3,(H,24,25).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 370.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 50939489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).