(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide

C26H24N6O6 — CID 90469323

IUPAC(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide
SMILESNC(=O)[C@H]1OCO[C@@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H]5OCO[C@@H]5C(N)=O)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C26H24N6O6/c27-23(33)19-21(37-11-35-19)25-29-9-17(31-25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-10-30-26(32-18)22-20(24(28)34)36-12-38-22/h1-10,19-22H,11-12H2,(H2,27,33)(H2,28,34)(H,29,31)(H,30,32)/t19-,20-,21-,22-/m0/s1
InChIKeyOMFRKKNHXCLUOX-CMOCDZPBSA-N
MW516.51 g/mol
LogP1.93
Rot. Bonds7

About (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide

(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide (PubChem CID 90469323) has the molecular formula C26H24N6O6 and a molecular weight of 516.51 g/mol. Its IUPAC name is (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide
PubChem CID90469323
Molecular FormulaC26H24N6O6
Molecular Weight516.51 g/mol
Exact Mass516.18
IUPAC Name(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide
SMILESNC(=O)[C@H]1OCO[C@@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H]5OCO[C@@H]5C(N)=O)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C26H24N6O6/c27-23(33)19-21(37-11-35-19)25-29-9-17(31-25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-10-30-26(32-18)22-20(24(28)34)36-12-38-22/h1-10,19-22H,11-12H2,(H2,27,33)(H2,28,34)(H,29,31)(H,30,32)/t19-,20-,21-,22-/m0/s1
InChIKeyOMFRKKNHXCLUOX-CMOCDZPBSA-N
XLogP1.93
TPSA180.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.51
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide with MolForge

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 24896872
2-(5-phenyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878958
methyl N-[[(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-[(methoxycarbonylamino)-propan-2-ylcarbamoyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-propan-2-ylamino]carbamate
CID 90469260
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-ol
CID 116881267
(2S)-2-amino-1-[2-[5-[4-[4-[2-[1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 25229825
methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate
CID 123405809
2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141292313
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
(2R)-2-amino-1-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 71101886
tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67224828
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
tert-butyl 2-methyl-5-[5-[4-[4-[2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 74409491

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide?
The IUPAC name of (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide (CID 90469323) is (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide?
The canonical SMILES for (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide is NC(=O)[C@H]1OCO[C@@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H]5OCO[C@@H]5C(N)=O)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide?
The InChIKey is OMFRKKNHXCLUOX-CMOCDZPBSA-N. The full InChI is InChI=1S/C26H24N6O6/c27-23(33)19-21(37-11-35-19)25-29-9-17(31-25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-10-30-26(32-18)22-20(24(28)34)36-12-38-22/h1-10,19-22H,11-12H2,(H2,27,33)(H2,28,34)(H,29,31)(H,30,32)/t19-,20-,21-,22-/m0/s1.
What are the key properties of (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide?
(4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide has a molecular weight of 516.51 g/mol, XLogP of 1.93, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[5-[4-[4-[2-[(4R,5S)-5-carbamoyl-1,3-dioxolan-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 90469323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).