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

C24H24N6O — CID 66555582

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5cc(C(C)(C)C)ccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C24H24N6O/c1-13-27-19-8-6-16(11-20(19)28-13)30-23(25)17(12-26-30)22(31)21-10-14-9-15(24(2,3)4)5-7-18(14)29-21/h5-12,29H,25H2,1-4H3,(H,27,28)
InChIKeyBQHKHXMCVZGNBQ-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.65
Rot. Bonds3

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone (PubChem CID 66555582) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone
PubChem CID66555582
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5cc(C(C)(C)C)ccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C24H24N6O/c1-13-27-19-8-6-16(11-20(19)28-13)30-23(25)17(12-26-30)22(31)21-10-14-9-15(24(2,3)4)5-7-18(14)29-21/h5-12,29H,25H2,1-4H3,(H,27,28)
InChIKeyBQHKHXMCVZGNBQ-UHFFFAOYSA-N
XLogP4.65
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.65
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]-(5-tert-butyl-1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone (CID 66555582) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5cc(C(C)(C)C)ccc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone?
The InChIKey is BQHKHXMCVZGNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-13-27-19-8-6-16(11-20(19)28-13)30-23(25)17(12-26-30)22(31)21-10-14-9-15(24(2,3)4)5-7-18(14)29-21/h5-12,29H,25H2,1-4H3,(H,27,28).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone has a molecular weight of 412.50 g/mol, XLogP of 4.65, 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]-(5-tert-butyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 66555582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).