2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide

C25H29N7O3S — CID 71116644

IUPAC2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C25H29N7O3S/c26-24-23(36(33,34)30-20-5-2-1-3-6-20)16-19(17-28-24)18-7-8-21-22(15-18)32(25(27)29-21)10-4-9-31-11-13-35-14-12-31/h1-3,5-8,15-17,30H,4,9-14H2,(H2,26,28)(H2,27,29)
InChIKeyBALKLXUADKHBOP-UHFFFAOYSA-N
MW507.62 g/mol
LogP2.79
Rot. Bonds8

About 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide

2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 71116644) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID71116644
Molecular FormulaC25H29N7O3S
Molecular Weight507.62 g/mol
Exact Mass507.21
IUPAC Name2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C25H29N7O3S/c26-24-23(36(33,34)30-20-5-2-1-3-6-20)16-19(17-28-24)18-7-8-21-22(15-18)32(25(27)29-21)10-4-9-31-11-13-35-14-12-31/h1-3,5-8,15-17,30H,4,9-14H2,(H2,26,28)(H2,27,29)
InChIKeyBALKLXUADKHBOP-UHFFFAOYSA-N
XLogP2.79
TPSA141.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide
CID 71116633
N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 71116169
2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide
CID 71136714
2-amino-5-[2-amino-3-(1,4-dioxan-2-ylmethyl)-4-oxoquinazolin-6-yl]-N-phenylpyridine-3-sulfonamide
CID 67982335
5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
CID 71116598
5-[2-amino-3-(oxan-4-yl)-4-oxoquinazolin-6-yl]-2-methyl-N-phenylpyridine-3-sulfonamide
CID 123847807
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-(cyclopropylmethyl)-2-methoxypyridine-3-sulfonamide
CID 123396438
5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-2-methoxy-N-(1-phenylethyl)pyridine-3-sulfonamide;formic acid
CID 71116570
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide (CID 71116644) is 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide is Nc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is BALKLXUADKHBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S/c26-24-23(36(33,34)30-20-5-2-1-3-6-20)16-19(17-28-24)18-7-8-21-22(15-18)32(25(27)29-21)10-4-9-31-11-13-35-14-12-31/h1-3,5-8,15-17,30H,4,9-14H2,(H2,26,28)(H2,27,29).
What are the key properties of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide?
2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 507.62 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 71116644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).