[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone

C24H19N5OS — CID 18522014

IUPAC[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone
SMILESCc1cccc(-c2ccccc2)c1C(=O)c1sc(Nc2ccc3nc[nH]c3c2)nc1N
InChIInChI=1S/C24H19N5OS/c1-14-6-5-9-17(15-7-3-2-4-8-15)20(14)21(30)22-23(25)29-24(31-22)28-16-10-11-18-19(12-16)27-13-26-18/h2-13H,25H2,1H3,(H,26,27)(H,28,29)
InChIKeyGCVUTWCYUBNCJF-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.55
Rot. Bonds5

About [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone

[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone (PubChem CID 18522014) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone
PubChem CID18522014
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone
SMILESCc1cccc(-c2ccccc2)c1C(=O)c1sc(Nc2ccc3nc[nH]c3c2)nc1N
InChIInChI=1S/C24H19N5OS/c1-14-6-5-9-17(15-7-3-2-4-8-15)20(14)21(30)22-23(25)29-24(31-22)28-16-10-11-18-19(12-16)27-13-26-18/h2-13H,25H2,1H3,(H,26,27)(H,28,29)
InChIKeyGCVUTWCYUBNCJF-UHFFFAOYSA-N
XLogP5.55
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone?
The IUPAC name of [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone (CID 18522014) is [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone.
What is the SMILES notation for [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone?
The canonical SMILES for [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone is Cc1cccc(-c2ccccc2)c1C(=O)c1sc(Nc2ccc3nc[nH]c3c2)nc1N.
What is the InChIKey of [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone?
The InChIKey is GCVUTWCYUBNCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-14-6-5-9-17(15-7-3-2-4-8-15)20(14)21(30)22-23(25)29-24(31-22)28-16-10-11-18-19(12-16)27-13-26-18/h2-13H,25H2,1H3,(H,26,27)(H,28,29).
What are the key properties of [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone?
[4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone has a molecular weight of 425.52 g/mol, XLogP of 5.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3H-benzimidazol-5-ylamino)-1,3-thiazol-5-yl]-(2-methyl-6-phenylphenyl)methanone is sourced from PubChem (CID 18522014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).