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

C22H20N6O — CID 66555065

IUPAC[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)c1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C22H20N6O/c1-12(2)22-26-17-8-7-14(10-18(17)27-22)28-21(23)15(11-24-28)20(29)19-9-13-5-3-4-6-16(13)25-19/h3-12,25H,23H2,1-2H3,(H,26,27)
InChIKeyJVOLEHMTBIFDBE-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.17
Rot. Bonds4

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

[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 66555065) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID66555065
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)c1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C22H20N6O/c1-12(2)22-26-17-8-7-14(10-18(17)27-22)28-21(23)15(11-24-28)20(29)19-9-13-5-3-4-6-16(13)25-19/h3-12,25H,23H2,1-2H3,(H,26,27)
InChIKeyJVOLEHMTBIFDBE-UHFFFAOYSA-N
XLogP4.17
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone
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1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol
CID 50965231
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone
CID 118286495
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[4,5-bis(3-methoxyphenyl)-1H-pyrrol-2-yl]methanone
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2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 66555065) is [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is CC(C)c1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is JVOLEHMTBIFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-12(2)22-26-17-8-7-14(10-18(17)27-22)28-21(23)15(11-24-28)20(29)19-9-13-5-3-4-6-16(13)25-19/h3-12,25H,23H2,1-2H3,(H,26,27).
What are the key properties of [5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 384.44 g/mol, XLogP of 4.17, 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-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 66555065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).