tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium

C43H53BrN10O6S2U — CID 157082295

IUPACtert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(O)c3[nH]c(-c4ccc(Br)s4)nc23)C1.O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccc(N4CCNCC4)s3)nc12.[H][3H].[U]
InChIInChI=1S/C22H25BrN4O4S.C21H26N6O2S.U.H2/c1-22(2,3)31-21(30)27-10-4-5-12(11-27)24-20(29)13-6-7-14(28)18-17(13)25-19(26-18)15-8-9-16(23)32-15;28-15-4-3-14(21(29)24-13-2-1-7-23-12-13)18-19(15)26-20(25-18)16-5-6-17(30-16)27-10-8-22-9-11-27;;/h6-9,12,28H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,26);3-6,13,22-23,28H,1-2,7-12H2,(H,24,29)(H,25,26);;1H/t12-;13-;;/m00../s1/i;;;1+2
InChIKeyADRORVHOXIODGC-BCHVJYTNSA-N
MW1190.04 g/mol
LogP7.02
Rot. Bonds7

About tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium

tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium (PubChem CID 157082295) has the molecular formula C43H53BrN10O6S2U and a molecular weight of 1190.04 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium
PubChem CID157082295
Molecular FormulaC43H53BrN10O6S2U
Molecular Weight1190.04 g/mol
Exact Mass1188.34
IUPAC Nametert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(O)c3[nH]c(-c4ccc(Br)s4)nc23)C1.O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccc(N4CCNCC4)s3)nc12.[H][3H].[U]
InChIInChI=1S/C22H25BrN4O4S.C21H26N6O2S.U.H2/c1-22(2,3)31-21(30)27-10-4-5-12(11-27)24-20(29)13-6-7-14(28)18-17(13)25-19(26-18)15-8-9-16(23)32-15;28-15-4-3-14(21(29)24-13-2-1-7-23-12-13)18-19(15)26-20(25-18)16-5-6-17(30-16)27-10-8-22-9-11-27;;/h6-9,12,28H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,26);3-6,13,22-23,28H,1-2,7-12H2,(H,24,29)(H,25,26);;1H/t12-;13-;;/m00../s1/i;;;1+2
InChIKeyADRORVHOXIODGC-BCHVJYTNSA-N
XLogP7.02
TPSA212.86 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001190.04
LogP ≤ 57.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylic acid
CID 67368009
7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 46191079
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
benzyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl (3R)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 159336340
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-(piperidin-3-ylamino)azepane-1-carboxylate
CID 107249352
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
tert-butyl 3-[(4,5-diamino-2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 166815279
tert-butyl (3S)-3-[(2-bromo-1,3-thiazol-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 146365936
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123551
tert-butyl 3-[3-(7-methoxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-3-oxopropyl]piperidine-1-carboxylate
CID 58484309

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium?
The IUPAC name of tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium (CID 157082295) is tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium.
What is the SMILES notation for tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium?
The canonical SMILES for tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium is CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(O)c3[nH]c(-c4ccc(Br)s4)nc23)C1.O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccc(N4CCNCC4)s3)nc12.[H][3H].[U].
What is the InChIKey of tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium?
The InChIKey is ADRORVHOXIODGC-BCHVJYTNSA-N. The full InChI is InChI=1S/C22H25BrN4O4S.C21H26N6O2S.U.H2/c1-22(2,3)31-21(30)27-10-4-5-12(11-27)24-20(29)13-6-7-14(28)18-17(13)25-19(26-18)15-8-9-16(23)32-15;28-15-4-3-14(21(29)24-13-2-1-7-23-12-13)18-19(15)26-20(25-18)16-5-6-17(30-16)27-10-8-22-9-11-27;;/h6-9,12,28H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,26);3-6,13,22-23,28H,1-2,7-12H2,(H,24,29)(H,25,26);;1H/t12-;13-;;/m00../s1/i;;;1+2.
What are the key properties of tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium?
tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium has a molecular weight of 1190.04 g/mol, XLogP of 7.02, 7 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium is sourced from PubChem (CID 157082295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).