3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide

C21H15N7O — CID 127040977

IUPAC3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C21H15N7O/c29-21(27-20-18-19(24-11-23-18)25-12-26-20)16-3-1-2-15(10-16)14-4-6-17(7-5-14)28-9-8-22-13-28/h1-13H,(H2,23,24,25,26,27,29)
InChIKeyRPWVEYHVQPBMTK-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide

3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide (PubChem CID 127040977) has the molecular formula C21H15N7O and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide
PubChem CID127040977
Molecular FormulaC21H15N7O
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC Name3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C21H15N7O/c29-21(27-20-18-19(24-11-23-18)25-12-26-20)16-3-1-2-15(10-16)14-4-6-17(7-5-14)28-9-8-22-13-28/h1-13H,(H2,23,24,25,26,27,29)
InChIKeyRPWVEYHVQPBMTK-UHFFFAOYSA-N
XLogP3.46
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine
CID 141294128
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47061485
4-(diaminomethylideneamino)-N-(7H-purin-6-yl)benzamide
CID 171750964
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 69235451
1-(3,4-dichlorophenyl)-3-(7H-purin-6-yl)urea
CID 11034643
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
CID 42536499
3-(dimethylamino)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 73331320
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 75355784
1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 7620011

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide (CID 127040977) is 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide is O=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide?
The InChIKey is RPWVEYHVQPBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O/c29-21(27-20-18-19(24-11-23-18)25-12-26-20)16-3-1-2-15(10-16)14-4-6-17(7-5-14)28-9-8-22-13-28/h1-13H,(H2,23,24,25,26,27,29).
What are the key properties of 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide?
3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide has a molecular weight of 381.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 127040977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).