6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C28H29N5O2S — CID 10051670

IUPAC6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)c1ccccc1-c1nc(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C28H29N5O2S/c1-17(2)21-12-8-9-13-22(21)27-31-25(19-10-6-5-7-11-19)26(32-27)20-14-15-23-24(16-20)33(28(29)30-23)36(34,35)18(3)4/h5-18H,1-4H3,(H2,29,30)(H,31,32)
InChIKeyLPGPPOQGBOQRRQ-UHFFFAOYSA-N
MW499.64 g/mol
LogP6.05
Rot. Bonds6

About 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 10051670) has the molecular formula C28H29N5O2S and a molecular weight of 499.64 g/mol. Its IUPAC name is 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID10051670
Molecular FormulaC28H29N5O2S
Molecular Weight499.64 g/mol
Exact Mass499.20
IUPAC Name6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)c1ccccc1-c1nc(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C28H29N5O2S/c1-17(2)21-12-8-9-13-22(21)27-31-25(19-10-6-5-7-11-19)26(32-27)20-14-15-23-24(16-20)33(28(29)30-23)36(34,35)18(3)4/h5-18H,1-4H3,(H2,29,30)(H,31,32)
InChIKeyLPGPPOQGBOQRRQ-UHFFFAOYSA-N
XLogP6.05
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10347330
6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11756689
2-amino-6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N,N-dimethylbenzimidazole-1-sulfonamide;methanesulfonic acid
CID 11377433
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616844
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide
CID 510470
5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616211
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone
CID 10522586
5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 163798643
ethyl 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-phenylprop-2-enoate
CID 54413341
3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-hydroxy-N-methyl-3-phenylpropanamide
CID 13286499
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide
CID 141108110
(Z)-4-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one
CID 70272387

Frequently Asked Questions

What is the IUPAC name of 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 10051670) is 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)c1ccccc1-c1nc(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is LPGPPOQGBOQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2S/c1-17(2)21-12-8-9-13-22(21)27-31-25(19-10-6-5-7-11-19)26(32-27)20-14-15-23-24(16-20)33(28(29)30-23)36(34,35)18(3)4/h5-18H,1-4H3,(H2,29,30)(H,31,32).
What are the key properties of 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 499.64 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 10051670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).