1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine

C50H50N10O4S2 — CID 145471527

IUPAC1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1)N1Cc2ccccc2C1.O=S(=O)(c1ccc(CN(Cc2cnc[nH]2)Cc2ncc[nH]2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C27H26N4O2S.C23H24N6O2S/c32-34(33,31-18-23-7-1-2-8-24(23)19-31)27-13-11-22(12-14-27)17-30(20-25-9-3-5-15-28-25)21-26-10-4-6-16-29-26;30-32(31,29-13-19-3-1-2-4-20(19)14-29)22-7-5-18(6-8-22)12-28(15-21-11-24-17-27-21)16-23-25-9-10-26-23/h1-16H,17-21H2;1-11,17H,12-16H2,(H,24,27)(H,25,26)
InChIKeyHKVHUJBMMXYHGM-UHFFFAOYSA-N
MW919.15 g/mol
LogP7.42
Rot. Bonds16

About 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine

1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine (PubChem CID 145471527) has the molecular formula C50H50N10O4S2 and a molecular weight of 919.15 g/mol. Its IUPAC name is 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine
PubChem CID145471527
Molecular FormulaC50H50N10O4S2
Molecular Weight919.15 g/mol
Exact Mass918.35
IUPAC Name1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1)N1Cc2ccccc2C1.O=S(=O)(c1ccc(CN(Cc2cnc[nH]2)Cc2ncc[nH]2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C27H26N4O2S.C23H24N6O2S/c32-34(33,31-18-23-7-1-2-8-24(23)19-31)27-13-11-22(12-14-27)17-30(20-25-9-3-5-15-28-25)21-26-10-4-6-16-29-26;30-32(31,29-13-19-3-1-2-4-20(19)14-29)22-7-5-18(6-8-22)12-28(15-21-11-24-17-27-21)16-23-25-9-10-26-23/h1-16H,17-21H2;1-11,17H,12-16H2,(H,24,27)(H,25,26)
InChIKeyHKVHUJBMMXYHGM-UHFFFAOYSA-N
XLogP7.42
TPSA164.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.15
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine with MolForge

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Related Compounds

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US11407757, Cpd 66
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1-(benzenesulfonyl)-2-[1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]triazol-4-yl]pyrrolo[2,3-b]pyridine
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1-(benzenesulfonyl)-2-[1-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propyl]triazol-4-yl]pyrrolo[2,3-b]pyridine
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N-(1H-benzimidazol-2-ylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
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4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]-N-methylbenzenesulfonamide
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4-[6-[2-[3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]-N-methylbenzenesulfonamide
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1-(4-methylphenyl)sulfanyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine;1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine (CID 145471527) is 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine is O=S(=O)(c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1)N1Cc2ccccc2C1.O=S(=O)(c1ccc(CN(Cc2cnc[nH]2)Cc2ncc[nH]2)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The InChIKey is HKVHUJBMMXYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S.C23H24N6O2S/c32-34(33,31-18-23-7-1-2-8-24(23)19-31)27-13-11-22(12-14-27)17-30(20-25-9-3-5-15-28-25)21-26-10-4-6-16-29-26;30-32(31,29-13-19-3-1-2-4-20(19)14-29)22-7-5-18(6-8-22)12-28(15-21-11-24-17-27-21)16-23-25-9-10-26-23/h1-16H,17-21H2;1-11,17H,12-16H2,(H,24,27)(H,25,26).
What are the key properties of 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine has a molecular weight of 919.15 g/mol, XLogP of 7.42, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(1H-imidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)methanamine is sourced from PubChem (CID 145471527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).