cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C92H112N20O4 — CID 157083586

IUPACcyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESC[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C(C)(C)C.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.C[C@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1
InChIInChI=1S/C25H27N5O.2C23H29N5O.C21H27N5O/c1-18-11-20(16-30(18)25(31)10-7-19-5-3-2-4-6-19)15-29-17-26-23-12-21(8-9-24(23)29)22-13-27-28-14-22;2*1-16-9-17(14-28(16)23(29)18-5-3-2-4-6-18)13-27-15-24-21-10-19(7-8-22(21)27)20-11-25-26-12-20;1-14-7-15(12-26(14)20(27)21(2,3)4)11-25-13-22-18-8-16(5-6-19(18)25)17-9-23-24-10-17/h2-6,8-9,12-14,17-18,20H,7,10-11,15-16H2,1H3,(H,27,28);2*7-8,10-12,15-18H,2-6,9,13-14H2,1H3,(H,25,26);5-6,8-10,13-15H,7,11-12H2,1-4H3,(H,23,24)/t18-,20?;2*16-,17?;14-,15?/m1101/s1
InChIKeyADVIQFGFLRSOOT-AUULLVJYSA-N
MW1562.04 g/mol
LogP16.49
Rot. Bonds17

About cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 157083586) has the molecular formula C92H112N20O4 and a molecular weight of 1562.04 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID157083586
Molecular FormulaC92H112N20O4
Molecular Weight1562.04 g/mol
Exact Mass1560.92
IUPAC Namecyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESC[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C(C)(C)C.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.C[C@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1
InChIInChI=1S/C25H27N5O.2C23H29N5O.C21H27N5O/c1-18-11-20(16-30(18)25(31)10-7-19-5-3-2-4-6-19)15-29-17-26-23-12-21(8-9-24(23)29)22-13-27-28-14-22;2*1-16-9-17(14-28(16)23(29)18-5-3-2-4-6-18)13-27-15-24-21-10-19(7-8-22(21)27)20-11-25-26-12-20;1-14-7-15(12-26(14)20(27)21(2,3)4)11-25-13-22-18-8-16(5-6-19(18)25)17-9-23-24-10-17/h2-6,8-9,12-14,17-18,20H,7,10-11,15-16H2,1H3,(H,27,28);2*7-8,10-12,15-18H,2-6,9,13-14H2,1H3,(H,25,26);5-6,8-10,13-15H,7,11-12H2,1-4H3,(H,23,24)/t18-,20?;2*16-,17?;14-,15?/m1101/s1
InChIKeyADVIQFGFLRSOOT-AUULLVJYSA-N
XLogP16.49
TPSA267.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001562.04
LogP ≤ 516.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 157083586) is cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C(C)(C)C.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.C[C@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is ADVIQFGFLRSOOT-AUULLVJYSA-N. The full InChI is InChI=1S/C25H27N5O.2C23H29N5O.C21H27N5O/c1-18-11-20(16-30(18)25(31)10-7-19-5-3-2-4-6-19)15-29-17-26-23-12-21(8-9-24(23)29)22-13-27-28-14-22;2*1-16-9-17(14-28(16)23(29)18-5-3-2-4-6-18)13-27-15-24-21-10-19(7-8-22(21)27)20-11-25-26-12-20;1-14-7-15(12-26(14)20(27)21(2,3)4)11-25-13-22-18-8-16(5-6-19(18)25)17-9-23-24-10-17/h2-6,8-9,12-14,17-18,20H,7,10-11,15-16H2,1H3,(H,27,28);2*7-8,10-12,15-18H,2-6,9,13-14H2,1H3,(H,25,26);5-6,8-10,13-15H,7,11-12H2,1-4H3,(H,23,24)/t18-,20?;2*16-,17?;14-,15?/m1101/s1.
What are the key properties of cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 1562.04 g/mol, XLogP of 16.49, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 157083586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).